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Murcko scaffold

Ring system with 4 rings and 25 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
12
With full pages
1
Scaffold SMILES

O=C(NCc1ccccc1)C1CCN(c2ncnc3[nH]ccc23)CC1

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=C(NCc1ccccc1)C1CCN(c2ncnc3[nH]ccc23)CC1

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 12 of 12 chemicals

4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide chemical structure, C19H21ClN6O, CAS 885500-12-9
4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CAS 885500-12-9C19H21ClN6O
Capivasertib chemical structure, C21H25ClN6O2, CAS 1143532-39-1
Capivasertib
CAS 1143532-39-1C21H25ClN6O2
N-(3-Acetamido-1-(4-chlorophenyl)propyl)-4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide chemical structure, C23H28ClN7O2, CAS 1143532-41-5
N-(3-Acetamido-1-(4-chlorophenyl)propyl)-4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CAS 1143532-41-5C23H28ClN7O2
4-Piperidinecarboxamide, 4-amino-N-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)- chemical structure, C19H21ClN6O, CAS 885500-13-0
4-Piperidinecarboxamide, 4-amino-N-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-
CAS 885500-13-0C19H21ClN6O
4-Amino-N-(2-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide chemical structure, C19H21ClN6O, CAS 885500-16-3
4-Amino-N-(2-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CAS 885500-16-3C19H21ClN6O
4-Piperidinecarboxamide, 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]- chemical structure, C20H21F3N6O, CAS 885500-14-1
4-Piperidinecarboxamide, 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-
CAS 885500-14-1C20H21F3N6O
(S)-tert-Butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate chemical structure, C26H33ClN6O4, CAS 1143534-12-6
(S)-tert-Butyl 4-(1-(4-chlorophenyl)-3-hydroxypropylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate
CAS 1143534-12-6C26H33ClN6O4
Carbamic acid, N-[4-[[[(4-chlorophenyl)cyanomethyl]amino]carbonyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]-, 1,1-dimethylethyl ester chemical structure, C25H28ClN7O3, CAS 1143533-84-9
Carbamic acid, N-[4-[[[(4-chlorophenyl)cyanomethyl]amino]carbonyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS 1143533-84-9C25H28ClN7O3
(R)-Capivasertib chemical structure, C21H25ClN6O2, CAS 1143532-51-7
(R)-Capivasertib
CAS 1143532-51-7C21H25ClN6O2
4-Piperidinecarboxamide, 4-amino-N-[(1S)-3-hydroxy-1-phenylpropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)- chemical structure, C21H26N6O2, CAS 1143532-63-1
4-Piperidinecarboxamide, 4-amino-N-[(1S)-3-hydroxy-1-phenylpropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-
CAS 1143532-63-1C21H26N6O2
Azd 5363 dihydrochloride chemical structure, C21H27Cl3N6O2, CAS 2108875-84-7
Azd 5363 dihydrochloride
CAS 2108875-84-7C21H27Cl3N6O2
AZD5363dihydrochloride chemical structure, C21H27Cl3N6O2
AZD5363dihydrochloride
C21H27Cl3N6O2