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Murcko scaffold

Ring system with 5 rings and 21 atoms

74 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
21
Chemicals
74
With full pages
26
Scaffold SMILES

c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3

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 c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3

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 74 chemicals

Amberlite CG 400 chemical structure, C21H26N2O3, CAS 37247-87-3
Amberlite CG 400
CAS 37247-87-3C21H26N2O3
Yohimbine hydrochloride chemical structure, C21H27ClN2O3, CAS 65-19-0
Yohimbine hydrochloride
CAS 65-19-0C21H27ClN2O3
Yohimbine chemical structure, C21H26N2O3, CAS 146-48-5
Yohimbine
CAS 146-48-5C21H26N2O3
(3beta,16beta,17alpha,18beta,20alpha)-18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid chemical structure, C22H28N2O5, CAS 83-60-3
(3beta,16beta,17alpha,18beta,20alpha)-18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
CAS 83-60-3C22H28N2O5
Metoserpate hydrochloride chemical structure, C24H33ClN2O5, CAS 7756-72-1
Metoserpate hydrochloride
CAS 7756-72-1C24H33ClN2O5
Metoserpate chemical structure, C24H32N2O5, CAS 1178-28-5
Metoserpate
CAS 1178-28-5C24H32N2O5
Yohimbic acid chemical structure, C20H24N2O3, CAS 522-87-2
Yohimbic acid
CAS 522-87-2C20H24N2O3
Venenatine chemical structure, C22H28N2O4, CAS 1055-75-0
Venenatine
CAS 1055-75-0C22H28N2O4
Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate chemical structure, C23H30N2O5, CAS 2901-66-8
Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
CAS 2901-66-8C23H30N2O5
Corynanthine chemical structure, C21H26N2O3, CAS 483-10-3
Corynanthine
CAS 483-10-3C21H26N2O3
Yohimban, 17-beta-chloro-16-alpha-methyl- chemical structure, C20H25ClN2, CAS 439-65-6
Yohimban, 17-beta-chloro-16-alpha-methyl-
CAS 439-65-6C20H25ClN2
Yohimban-17-ol, (17beta)- chemical structure, C19H24N2O, CAS 439-70-3
Yohimban-17-ol, (17beta)-
CAS 439-70-3C19H24N2O
Yohimban-17-ol, 16-(chloromethyl)-, (16alpha,17alpha)- chemical structure, C20H25ClN2O, CAS 522-71-4
Yohimban-17-ol, 16-(chloromethyl)-, (16alpha,17alpha)-
CAS 522-71-4C20H25ClN2O
Alloyohimbine chemical structure, C21H26N2O3, CAS 522-94-1
Alloyohimbine
CAS 522-94-1C21H26N2O3
Yohimban chemical structure, C19H24N2, CAS 523-06-8
Yohimban
CAS 523-06-8C19H24N2
Yohimban, 17-alpha-fluoro- chemical structure, C19H23FN2, CAS 523-11-5
Yohimban, 17-alpha-fluoro-
CAS 523-11-5C19H23FN2
Yohimban, 16-alpha-methyl- chemical structure, C20H26N2, CAS 549-76-8
Yohimban, 16-alpha-methyl-
CAS 549-76-8C20H26N2
Yohimban-17-alpha-ol, 16-alpha-methyl- chemical structure, C20H26N2O, CAS 549-79-1
Yohimban-17-alpha-ol, 16-alpha-methyl-
CAS 549-79-1C20H26N2O
Methyl (1S,15S,18R,19S,20S)-18-hydroxy-6,7-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate chemical structure, C23H30N2O5, CAS 84667-06-1
Methyl (1S,15S,18R,19S,20S)-18-hydroxy-6,7-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CAS 84667-06-1C23H30N2O5
11-Methoxy-alpha-yohimbine chemical structure, C22H28N2O4, CAS 84710-88-3
11-Methoxy-alpha-yohimbine
CAS 84710-88-3C22H28N2O4
11-Methoxy-17-epi-alpha-yohimbine chemical structure, C22H28N2O4, CAS 84710-89-4
11-Methoxy-17-epi-alpha-yohimbine
CAS 84710-89-4C22H28N2O4
11-Hydroxyyohimbine chemical structure, C21H26N2O4, CAS 140405-13-6
11-Hydroxyyohimbine
CAS 140405-13-6C21H26N2O4
10-Hydroxyyohimbine chemical structure, C21H26N2O4, CAS 41928-02-3
10-Hydroxyyohimbine
CAS 41928-02-3C21H26N2O4
Rauwolscine hydrochloride chemical structure, C21H27ClN2O3, CAS 6211-32-1
Rauwolscine hydrochloride
CAS 6211-32-1C21H27ClN2O3