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Murcko scaffold

Ring system with 4 rings and 42 atoms

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
42
Chemicals
9
With full pages
3
Scaffold SMILES

O=C1CCSSCCNC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)CN1

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 O=C1CCSSCCNC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)CNC(=O)CN1

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 9 of 9 chemicals

RefChem:1049322 chemical structure, C35H49N11O9S2, CAS 148031-34-9
RefChem:1049322
CAS 148031-34-9C35H49N11O9S2
Eptifibatide chemical structure, C35H49N11O9S2, CAS 188627-80-7
Eptifibatide
CAS 188627-80-7C35H49N11O9S2
2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid chemical structure, C34H47N9O9S2
2-((3R,11S,17S,20S,25aS)-20-((1H-Indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid
C34H47N9O9S2
Eptifibatide acetate chemical structure, C37H53N11O11S2, CAS 881997-86-0
Eptifibatide acetate
CAS 881997-86-0C37H53N11O11S2
Batifiban chemical structure, C34H47N11O9S2, CAS 710312-77-9
Batifiban
CAS 710312-77-9C34H47N11O9S2
C35H49N11O9S2 chemical structure, C35H49N11O9S2
C35H49N11O9S2
C35H49N11O9S2
2-[(3R,11S,17S,20S,25aS)-11-(4-Aminobutyl)-3-carbamoyl-20-[(1H-indol-3-yl)methyl]-1,9,12,15,18,21-hexaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid chemical structure, C34H47N9O9S2, CAS 1423453-54-6
2-[(3R,11S,17S,20S,25aS)-11-(4-Aminobutyl)-3-carbamoyl-20-[(1H-indol-3-yl)methyl]-1,9,12,15,18,21-hexaoxo-docosahydro-1H-pyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-17-yl]acetic acid
CAS 1423453-54-6C34H47N9O9S2
Deamidated eptifibatide chemical structure, C35H48N10O10S2, CAS 618118-95-9
Deamidated eptifibatide
CAS 618118-95-9C35H48N10O10S2
Deamino-Cys(1)-DL-Lys-Gly-DL-Asp-DL-Trp-D-Pro-DL-Cys(1)-NH2 chemical structure, C34H47N9O9S2
Deamino-Cys(1)-DL-Lys-Gly-DL-Asp-DL-Trp-D-Pro-DL-Cys(1)-NH2
C34H47N9O9S2