CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 28 atoms

13 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
13
With full pages
4
Scaffold SMILES

O=C(OC1CCCN(Cc2ccccc2)C1)C1=CNC=CC1c1ccccc1

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(OC1CCCN(Cc2ccccc2)C1)C1=CNC=CC1c1ccccc1

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 13 of 13 chemicals

3-Methyl 5-(1-(phenylmethyl)-3-piperidinyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate chemical structure, C28H31N3O6, CAS 91599-75-6
3-Methyl 5-(1-(phenylmethyl)-3-piperidinyl) 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
CAS 91599-75-6C28H31N3O6
KW 3049 chemical structure, C28H32ClN3O6, CAS 85387-35-5
KW 3049
CAS 85387-35-5C28H32ClN3O6
Benidipine hydrochloride chemical structure, C28H32ClN3O6, CAS 91599-74-5
Benidipine hydrochloride
CAS 91599-74-5C28H32ClN3O6
Benidipine chemical structure, C28H31N3O6, CAS 105979-17-7
Benidipine
CAS 105979-17-7C28H31N3O6
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3S)-1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (4S)- chemical structure, C28H32ClN3O6, CAS 129262-08-4
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3S)-1-(phenylmethyl)-3-piperidinyl ester, monohydrochloride, (4S)-
CAS 129262-08-4C28H32ClN3O6
Benidipine impurity U chemical structure, C28H31N3O6, CAS 119009-44-8
Benidipine impurity U
CAS 119009-44-8C28H31N3O6
5-O-[(3R)-1-Benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C28H31N3O6, CAS 119065-61-1
5-O-[(3R)-1-Benzylpiperidin-3-yl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 119065-61-1C28H31N3O6
(3S,4'R)-Benidipine HCl chemical structure, C28H31N3O6, CAS 119009-45-9
(3S,4'R)-Benidipine HCl
CAS 119009-45-9C28H31N3O6
Benidipine impurity Q chemical structure, C27H29N3O6, CAS 121138-43-0
Benidipine impurity Q
CAS 121138-43-0C27H29N3O6
(-)-alpha-Benidipine hydrochloride chemical structure, C28H32ClN3O6, CAS 119065-62-2
(-)-alpha-Benidipine hydrochloride
CAS 119065-62-2C28H32ClN3O6
rac Benidipine-d5 Hydrochloride chemical structure, C28H32ClN3O6, CAS 1329633-88-6
rac Benidipine-d5 Hydrochloride
CAS 1329633-88-6C28H32ClN3O6
(R,S)(S,R)-benidipine hydrochloride chemical structure, C28H32ClN3O6, CAS 91599-76-7
(R,S)(S,R)-benidipine hydrochloride
CAS 91599-76-7C28H32ClN3O6
Benidipine impurity 67 chemical structure, C56H62N6O12, CAS 105979-18-8
Benidipine impurity 67
CAS 105979-18-8C56H62N6O12