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Murcko scaffold

Ring system with 6 rings and 42 atoms

136 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
42
Chemicals
136
With full pages
38
Scaffold SMILES

C(=Cc1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1)c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold C(=Cc1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1)c1ccc(Nc2ncnc(Nc3ccccc3)n2)cc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 48 of 136 chemicals

2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid chemical structure, C40H44N12O10S2, CAS 4404-43-7
2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid
CAS 4404-43-7C40H44N12O10S2
2,2a(2)-[1,2-Ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis[1,4-benzenedisulfonic acid] chemical structure, C40H44N12O18S6, CAS 85938-95-0
2,2a(2)-[1,2-Ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis[1,4-benzenedisulfonic acid]
CAS 85938-95-0C40H44N12O18S6
5-[[4-[(3-Amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid chemical structure, C42H46N14O10S2, CAS 66085-71-0
5-[[4-[(3-Amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CAS 66085-71-0C42H46N14O10S2
RefChem:220055 chemical structure, C42H40N14Na6O22S6, CAS 67906-33-6
RefChem:220055
CAS 67906-33-6C42H40N14Na6O22S6
2,2a(2)-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid chemical structure, C44H52N12O16S4, CAS 54390-57-7
2,2a(2)-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CAS 54390-57-7C44H52N12O16S4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(2-hydroxypropoxy)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2) chemical structure, C38H36N10Na2O10S2, CAS 68003-30-5
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(2-hydroxypropoxy)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)
CAS 68003-30-5C38H36N10Na2O10S2
2,2'-(Ethene-1,2-diyl)bis(5-{[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino}benzene-1-sulfonic acid) chemical structure, C38H38N10O10S2, CAS 129680-33-7
2,2'-(Ethene-1,2-diyl)bis(5-{[4-anilino-6-(2-hydroxypropoxy)-1,3,5-triazin-2-yl]amino}benzene-1-sulfonic acid)
CAS 129680-33-7C38H38N10O10S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-methoxy-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2) chemical structure, C46H60N12O14S2, CAS 61136-17-2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-methoxy-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:2)
CAS 61136-17-2C46H60N12O14S2
4,4'-Bis[(4-(phenylamino)-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulfonic acid chemical structure, C34H30N10O8S2
4,4'-Bis[(4-(phenylamino)-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulfonic acid
C34H30N10O8S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt chemical structure, C32H20Cl2K2N10Na2O12S4, CAS 68155-68-0
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt
CAS 68155-68-0C32H20Cl2K2N10Na2O12S4
4,4'-Bis[2-(diethanolamino)-4-(4'-sulphoanilino)-s-triazin-6-ylamino]stilbene-2,2'-disulfonic acid chemical structure, C40H44N12O16S4, CAS 3066-05-5
4,4'-Bis[2-(diethanolamino)-4-(4'-sulphoanilino)-s-triazin-6-ylamino]stilbene-2,2'-disulfonic acid
CAS 3066-05-5C40H44N12O16S4
4,4'-Bis[4-(I(2)-hydroxyethylamino)-6-phenylamino-1,3,5-triazin-2-ylamino]stilbene-2,2'-disulfonic acid chemical structure, C36H36N12O8S2, CAS 31449-69-1
4,4'-Bis[4-(I(2)-hydroxyethylamino)-6-phenylamino-1,3,5-triazin-2-ylamino]stilbene-2,2'-disulfonic acid
CAS 31449-69-1C36H36N12O8S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxypropyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2) chemical structure, C38H38N12Na2O8S2, CAS 32694-95-4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxypropyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:2)
CAS 32694-95-4C38H38N12Na2O8S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxypropyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]- chemical structure, C38H40N12O8S2, CAS 68134-08-7
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxypropyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-
CAS 68134-08-7C38H40N12O8S2
Disodium, 5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate chemical structure, C42H44N14Na2O10S2
Disodium, 5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
C42H44N14Na2O10S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt chemical structure, C44H48K2N12Na2O16S4, CAS 49831-05-2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt
CAS 49831-05-2C44H48K2N12Na2O16S4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[2-(2-hydroxyethoxy)ethoxy]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt chemical structure, C40H40N10Na2O12S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[2-(2-hydroxyethoxy)ethoxy]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt
C40H40N10Na2O12S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt chemical structure, C36H32N12Na4O14S4, CAS 20182-56-3
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
CAS 20182-56-3C36H32N12Na4O14S4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2-aminoethanol (1:2) chemical structure, C44H58N14O12S2, CAS 20206-64-8
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, compd. with 2-aminoethanol (1:2)
CAS 20206-64-8C44H58N14O12S2
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt chemical structure, C32H20Cl2N10Na4O12S4, CAS 37138-25-3
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
CAS 37138-25-3C32H20Cl2N10Na4O12S4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt chemical structure, C32H20Cl2N10Na4O12S4, CAS 37138-26-4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
CAS 37138-26-4C32H20Cl2N10Na4O12S4
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt chemical structure, C42H38N14Na4O14S4, CAS 37515-76-7
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt
CAS 37515-76-7C42H38N14Na4O14S4
RefChem:220054 chemical structure, C42H40N14Na6O20S6, CAS 56190-26-2
RefChem:220054
CAS 56190-26-2C42H40N14Na6O20S6
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt chemical structure, C36H32K2N12Na2O14S4, CAS 67828-25-5
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt
CAS 67828-25-5C36H32K2N12Na2O14S4