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Murcko scaffold

Ring system with 3 rings and 13 atoms

68 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
13
Chemicals
68
With full pages
15
Scaffold SMILES

c1ccc2c3c([nH]c2c1)COCC3

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)COCC3

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 68 chemicals

Etodolac chemical structure, C17H21NO3, CAS 41340-25-4
Etodolac
CAS 41340-25-4C17H21NO3
Prodolic acid chemical structure, C16H19NO3, CAS 36505-82-5
Prodolic acid
CAS 36505-82-5C16H19NO3
1,8-Diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole chemical structure, C16H21NO, CAS 115066-03-0
1,8-Diethyl-1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole
CAS 115066-03-0C16H21NO
(1-Ethyl-8-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid chemical structure, C18H23NO3, CAS 57817-27-3
(1-Ethyl-8-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
CAS 57817-27-3C18H23NO3
2-(1-Ethyl-7-fluoro-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid chemical structure, C16H18FNO3, CAS 57817-28-4
2-(1-Ethyl-7-fluoro-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
CAS 57817-28-4C16H18FNO3
2-(7-Chloro-1-ethyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid chemical structure, C16H18ClNO3, CAS 57817-29-5
2-(7-Chloro-1-ethyl-8-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid
CAS 57817-29-5C16H18ClNO3
Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetate chemical structure, C18H23NO3, CAS 122188-02-7
Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetate
CAS 122188-02-7C18H23NO3
(-)-Etodolac chemical structure, C17H21NO3, CAS 87226-41-3
(-)-Etodolac
CAS 87226-41-3C17H21NO3
(+)-Etodolac chemical structure, C17H21NO3, CAS 87249-11-4
(+)-Etodolac
CAS 87249-11-4C17H21NO3
(S)-Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate chemical structure, C18H23NO3, CAS 200880-31-5
(S)-Methyl 2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetate
CAS 200880-31-5C18H23NO3
Hcv-371 chemical structure, C18H20N2O3, CAS 463941-20-0
Hcv-371
CAS 463941-20-0C18H20N2O3
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride chemical structure, C17H25ClN2O, CAS 60188-78-5
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride
CAS 60188-78-5C17H25ClN2O
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(dimethylamino)ethyl)-1-methyl-, oxalate chemical structure, C18H24N2O5, CAS 57790-91-7
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(dimethylamino)ethyl)-1-methyl-, oxalate
CAS 57790-91-7C18H24N2O5
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(3-(dimethylamino)propyl)-1-methyl-, oxalate chemical structure, C19H26N2O5, CAS 57790-93-9
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(3-(dimethylamino)propyl)-1-methyl-, oxalate
CAS 57790-93-9C19H26N2O5
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-methyl-1-(3-(methylamino)propyl)-, oxalate chemical structure, C18H24N2O5, CAS 57790-94-0
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-methyl-1-(3-(methylamino)propyl)-, oxalate
CAS 57790-94-0C18H24N2O5
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(dimethylamino)ethyl)-9-ethyl-1-methyl-, hydrochloride chemical structure, C18H27ClN2O, CAS 57790-98-4
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(dimethylamino)ethyl)-9-ethyl-1-methyl-, hydrochloride
CAS 57790-98-4C18H27ClN2O
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(diethylamino)ethyl)-1,9-dimethyl-, hydrochloride chemical structure, C19H29ClN2O, CAS 57791-00-1
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1-(2-(diethylamino)ethyl)-1,9-dimethyl-, hydrochloride
CAS 57791-00-1C19H29ClN2O
Pyrano(3,4-b)indol-6-ol, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride chemical structure, C17H25ClN2O2, CAS 57791-09-0
Pyrano(3,4-b)indol-6-ol, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride
CAS 57791-09-0C17H25ClN2O2
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,1-dimethyl-9-(2-(dimethylamino)ethyl)-, hydrochloride chemical structure, C17H25ClN2O, CAS 57791-12-5
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,1-dimethyl-9-(2-(dimethylamino)ethyl)-, hydrochloride
CAS 57791-12-5C17H25ClN2O
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,1-dimethyl-9-(3-(dimethylamino)propyl)-, hydrochloride chemical structure, C18H27ClN2O, CAS 57791-13-6
Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,1-dimethyl-9-(3-(dimethylamino)propyl)-, hydrochloride
CAS 57791-13-6C18H27ClN2O
AY 23427 chemical structure, C17H21NO3, CAS 41339-75-7
AY 23427
CAS 41339-75-7C17H21NO3
4-Amino-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-B]indole-1-acetic acid methyl ester chemical structure, C18H24N2O3, CAS 111478-81-0
4-Amino-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-B]indole-1-acetic acid methyl ester
CAS 111478-81-0C18H24N2O3
2-[(1R)-5-Cyano-8-fluoro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid chemical structure, C17H17FN2O3, CAS 627871-09-4
2-[(1R)-5-Cyano-8-fluoro-1-propyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid
CAS 627871-09-4C17H17FN2O3
(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid chemical structure, C18H19FN2O3, CAS 627871-22-1
(R)-2-(5-Cyano-6-fluoro-8-methyl-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid
CAS 627871-22-1C18H19FN2O3