Murcko scaffold
Ring system with 3 rings and 23 atoms
43 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 23
- Chemicals
- 43
- With full pages
- 7
Scaffold SMILES
O=C(CNCCCc1ccccc1)N1CCc2ccccc2C1
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.
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 43 of 43 chemicals
2-(N-(1-Ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CAS 82768-84-1C25H30N2O5
Moexipril hydrochloride
CAS 82586-52-5C27H35ClN2O7
Quinapril hydrochloride
CAS 82586-55-8C25H31ClN2O5
Quinapril
CAS 85441-61-8C25H30N2O5
Moexiprilat
CAS 103775-14-0C25H30N2O7
Moexipril
CAS 103775-10-6C27H34N2O7
Quinaprilat
CAS 82768-85-2C23H26N2O5
![(3S)-2-[(2R)-2-{[(2R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride chemical structure, C25H31ClN2O5, CAS 2743427-57-6](/s/IBBLRJGOOANPTQ-HYFSLMIVSA-N.svg)
(3S)-2-[(2R)-2-{[(2R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
CAS 2743427-57-6C25H31ClN2O5
N-Nitroso moexipril
CAS 1026879-47-9C27H33N3O8
Quinaprilat (hydrochloride)
CAS 82586-58-1C23H27ClN2O5
3-Isoquinolinecarboxylic acid, 2-((2S)-2-(((1S)-1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-, 1,1-dimethylethyl ester, (3S)-
CAS 82586-56-9C29H38N2O5
Quinaprilat HCl
CAS 85441-60-7C23H26N2O5
![2-[2-[(1-Carboxy-3-phenylpropyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid chemical structure, C25H30N2O7, CAS 1356840-08-8](/s/CMPAGYDKASJORH-UHFFFAOYSA-N.svg)
2-[2-[(1-Carboxy-3-phenylpropyl)amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CAS 1356840-08-8C25H30N2O7
epi-Ethoxycarbonyl quinapril
CAS 103775-09-3C25H30N2O5
Quinaprilat hydrate
CAS 1435786-09-6C23H28N2O6
epi-Carboxy quinapril
CAS 103833-16-5C25H30N2O5
Moexipril-d5
CAS 1356929-49-1C27H34N2O7
Moexiprilat-d5
C25H30N2O7
Quinaprilat-d5
CAS 1279034-23-9C23H26N2O5
Quinapril-d5
CAS 1279029-79-6C25H30N2O5
Moexipril ethyl ester
CAS 103733-37-5C29H38N2O7
Moexipril/nicardipine hydrochloride
CAS 122441-13-8C53H64ClN5O13
Quinaretic
CAS 151035-57-3C32H38ClN5O9S2
Quinapril methyl ester
CAS 118194-43-7C24H28N2O5
- (3S)-2-[(2R)-2-{[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride2743427-50-9C25H31ClN2O5
- Ethyl (2S)-2-[[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoate2955636-30-1C24H30N2O3
- O-Desethyl-O-isopropyl Quinapril955034-25-0C26H32N2O5
- Moexiprilat hydrochloride82586-57-0C25H31ClN2O7
- Moexipril tert-butyl ester maleate103733-40-0C35H46N2O11
- Moexipril tert-butyl ester103733-39-7C31H42N2O7
- (R)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride103775-06-0C25H31ClN2O5
- Quinapril ethyl ester103733-36-4C27H34N2O5
- (S)-2-((S)-2-(((R)-1-Carboxy-3-phenylpropyl)amino)propanoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid103775-11-7C25H30N2O7
- (3R)-2-[(2R)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acidC25H30N2O7
- Moexipril methyl ester1356841-17-2C26H33ClN2O7
- Quinapril ethyl ester maleic acid saltC31H38N2O9
- N-Nitroso-quinapril2922985-13-3C25H29N3O6
- Quinapril-d5 hydrochloride (major)1356020-03-5C25H31ClN2O5
- (S)-2-(((R)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride89300-89-0C25H31ClN2O5
- (2Z)-But-2-enedioic acid, ethyl (2S)-2-{[(2S)-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]amino}-4-phenylbutanoate2955636-74-3C28H34N2O7
- Ethyl (2S)-2-{[(2S)-1-oxo-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-yl]amino}-4-phenylbutanoate hydrochloride2955636-31-2C24H31ClN2O3
- Ethyl (3S)-2-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl](nitroso)amino}propanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate2994296-76-1C27H33N3O6
- Quinapril ethyl ester maleic acid saltC31H38N2O9
Related scaffolds
Same ring framework with different atoms or bond orders
O=C(COc1ccc2ccccc2c1)NN=Cc1ccccc116 chemicals
O=C(CSc1nc(=O)n2ccccc2n1)NCCc1ccccc15 chemicals
O=C(COc1ccccc1)NN=Cc1coc2ccccc2c1=O4 chemicals
O=C(Nc1ccccc1)OCCSc1ncc2ccccc2n14 chemicals
O=C(CSC1=NS(=O)(=O)c2ccccc2N1)NCCc1ccccc14 chemicals
O=C(COC(=O)c1ccc2ccccc2n1)NCc1ccccc13 chemicals
O=C(NN=Cc1cnc2ccccc2c1)C(=O)Nc1ccccc13 chemicals
O=C(COc1ccccc1)NN=Cc1cnc2ccccc2c13 chemicals![Scaffold O=C(CCc1ccccc1)NCCc1cc2ccccc2[nH]c1=O](/scaffold/QRQGOXCIJFPEIR-UHFFFAOYSA-N/structure.svg)
O=C(CCc1ccccc1)NCCc1cc2ccccc2[nH]c1=O3 chemicals![Scaffold O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc1](/scaffold/WSIQYPPYCKKIOV-UHFFFAOYSA-N/structure.svg)
O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccccc13 chemicals![Scaffold O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc1](/scaffold/BFLKFJRKUAYQAP-UHFFFAOYSA-N/structure.svg)
O=C(COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccccc12 chemicals
O=C(CCCOc1ccccc1)Nc1ccc2c(c1)OCCO22 chemicals