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Murcko scaffold

Ring system with 5 rings and 36 atoms

13 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
36
Chemicals
13
With full pages
4
Scaffold SMILES

O=C(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)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(OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)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

Manidipine chemical structure, C35H38N4O6, CAS 89226-50-6
Manidipine
CAS 89226-50-6C35H38N4O6
Manidipine dihydrochloride chemical structure, C35H40Cl2N4O6, CAS 89226-75-5
Manidipine dihydrochloride
CAS 89226-75-5C35H40Cl2N4O6
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester chemical structure, C34H35ClN4O6, CAS 107610-45-7
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-chloro-6-methyl-4-(3-nitrophenyl)-, 5-(2-(4-(diphenylmethyl)-1-piperazinyl)ethyl) 3-methyl ester
CAS 107610-45-7C34H35ClN4O6
Manidipine dihydrochlorid chemical structure, C35H39ClN4O6, CAS 164220-30-8
Manidipine dihydrochlorid
CAS 164220-30-8C35H39ClN4O6
Manidipine, (S)- chemical structure, C35H38N4O6, CAS 126451-47-6
Manidipine, (S)-
CAS 126451-47-6C35H38N4O6
R-(-)-Manidipine chemical structure, C35H38N4O6, CAS 133082-19-6
R-(-)-Manidipine
CAS 133082-19-6C35H38N4O6
2-(4-Benzhydryl-1-piperazinyl)ethyl ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C36H40N4O6, CAS 89226-51-7
2-(4-Benzhydryl-1-piperazinyl)ethyl ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 89226-51-7C36H40N4O6
Manidipine dihydrochloride, (S)- chemical structure, C35H40Cl2N4O6, CAS 119992-99-3
Manidipine dihydrochloride, (S)-
CAS 119992-99-3C35H40Cl2N4O6
Manidipine-d4 chemical structure, C35H38N4O6, CAS 1189656-59-4
Manidipine-d4
CAS 1189656-59-4C35H38N4O6
R-(-)-Manidipine-d4 chemical structure, C35H38N4O6, CAS 1217718-54-1
R-(-)-Manidipine-d4
CAS 1217718-54-1C35H38N4O6
S-(+)-Manidipine-d4 chemical structure, C35H38N4O6, CAS 1217836-12-8
S-(+)-Manidipine-d4
CAS 1217836-12-8C35H38N4O6
5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, hydrochloride chemical structure, C35H39ClN4O6, CAS 2231404-52-5
5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, hydrochloride
CAS 2231404-52-5C35H39ClN4O6
Manidipine dihydrochloride, (R)- chemical structure, C35H40Cl2N4O6, CAS 126372-04-1
Manidipine dihydrochloride, (R)-
CAS 126372-04-1C35H40Cl2N4O6