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Murcko scaffold

Ring system with 4 rings and 21 atoms

36 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
36
With full pages
9
Scaffold SMILES

[N]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c1

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 [N]=c1ccc2c(-c3ccccc3)c3ccccc3oc-2c1

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 36 of 36 chemicals

Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate hydrochloride (1:1) chemical structure, C28H31ClN2O3, CAS 989-38-8
Ethyl 2-(6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl)benzoate hydrochloride (1:1)
CAS 989-38-8C28H31ClN2O3
Basic Red 1:1 chemical structure, C27H29ClN2O3, CAS 12238-65-2
Basic Red 1:1
CAS 12238-65-2C27H29ClN2O3
Sulforhodamine G chemical structure, C25H25N2NaO7S2, CAS 5873-16-5
Sulforhodamine G
CAS 5873-16-5C25H25N2NaO7S2
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1) chemical structure, C28H31ClN2O7, CAS 13161-28-9
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1)
CAS 13161-28-9C28H31ClN2O7
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1) chemical structure, C30H36N2O7S, CAS 26694-69-9
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)
CAS 26694-69-9C30H36N2O7S
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, carbonate (1:1) chemical structure, C28H30N2O6, CAS 26694-70-2
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, carbonate (1:1)
CAS 26694-70-2C28H30N2O6
Rhodamine 6G cation chemical structure, C28H31N2O3+, CAS 12224-98-5
Rhodamine 6G cation
CAS 12224-98-5C28H31N2O3+
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-) (1:1) chemical structure, C28H31BF4N2O3, CAS 54854-14-7
Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, tetrafluoroborate(1-) (1:1)
CAS 54854-14-7C28H31BF4N2O3
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate chemical structure, C22H19ClN2O7, CAS 62669-77-6
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
CAS 62669-77-6C22H19ClN2O7
Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1) chemical structure, C28H31ClN2O4, CAS 63610-07-1
Xanthylium, 3,6-bis(ethylamino)-9-[2-[(2-hydroxyethoxy)carbonyl]phenyl]-2,7-dimethyl-, chloride (1:1)
CAS 63610-07-1C28H31ClN2O4
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1) chemical structure, C26H27ClN2O7, CAS 62669-66-3
Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate (1:1)
CAS 62669-66-3C26H27ClN2O7
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, tungstatephosphate chemical structure, C28H35N2O11PW, CAS 63022-08-2
Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, tungstatephosphate
CAS 63022-08-2C28H35N2O11PW
RefChem:549047 chemical structure, C100H102N10O18S2, CAS 65138-66-1
RefChem:549047
CAS 65138-66-1C100H102N10O18S2
Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid (3:1) chemical structure, C97H96N10O18S2, CAS 67874-58-2
Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid (3:1)
CAS 67874-58-2C97H96N10O18S2
Chromium(3+), [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium, 3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate, 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate chemical structure, C61H54CrN11O10, CAS 73297-20-8
Chromium(3+), [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium, 3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate, 2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
CAS 73297-20-8C61H54CrN11O10
RefChem:902291 chemical structure, C114H132N8O12+4, CAS 68611-74-5
RefChem:902291
CAS 68611-74-5C114H132N8O12+4
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate chemical structure, C135H145MoN10O23P, CAS 68310-07-6
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatephosphate
CAS 68310-07-6C135H145MoN10O23P
3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chemical structure, C27H29N2O3+, CAS 82181-98-4
3,6-Bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium
CAS 82181-98-4C27H29N2O3+
[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium chemical structure, C26H27N2O3+, CAS 18223-16-0
[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium
CAS 18223-16-0C26H27N2O3+
Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (1:1) chemical structure, C27H27ClN2O5, CAS 180144-68-7
Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, chloride (1:1)
CAS 180144-68-7C27H27ClN2O5
9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium dihydrogen phosphate chemical structure, C28H33N2O7P, CAS 38875-96-6
9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium dihydrogen phosphate
CAS 38875-96-6C28H33N2O7P
[9-(2-Carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium chemical structure, C24H23N2O3+, CAS 97171-84-1
[9-(2-Carboxyphenyl)-6-(ethylamino)xanthen-3-ylidene]-ethylazanium
CAS 97171-84-1C24H23N2O3+
5-Carboxy rhodamine-6G chemical structure, C27H27ClN2O5, CAS 180144-69-8
5-Carboxy rhodamine-6G
CAS 180144-69-8C27H27ClN2O5
6-Rh(Et2) HCl chemical structure, C25H23ClN2O5, CAS 135926-10-2
6-Rh(Et2) HCl
CAS 135926-10-2C25H23ClN2O5