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Murcko scaffold

Ring system with 4 rings and 19 atoms

129 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
129
With full pages
21
Scaffold SMILES

C1=CC2c3ccccc3NC(c3ccccc3)C2C1

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 C1=CC2c3ccccc3NC(c3ccccc3)C2C1

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 129 chemicals

4-[(3aS,4R,9bR)-6,7-Dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid chemical structure, C21H21NO2, CAS 1217682-79-5
4-[(3aS,4R,9bR)-6,7-Dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CAS 1217682-79-5C21H21NO2
4-[(3aS,4R,9bR)-9-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid chemical structure, C20H18ClNO2, CAS 959539-83-4
4-[(3aS,4R,9bR)-9-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CAS 959539-83-4C20H18ClNO2
4-[(3aR,4S,9bS)-6,8-Dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid chemical structure, C19H15Cl2NO2
4-[(3aR,4S,9bS)-6,8-Dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
C19H15Cl2NO2
GPR30 agonist-1 chemical structure, C19H17BrFNO, CAS 415919-74-3
GPR30 agonist-1
CAS 415919-74-3C19H17BrFNO
(3aR,4S,9bS)-4-(2,4-Dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid chemical structure, C19H15Cl2NO2
(3aR,4S,9bS)-4-(2,4-Dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
C19H15Cl2NO2
(3aS,4R,9bR)-4-(4-Chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid chemical structure, C19H16ClNO2, CAS 1217692-02-8
(3aS,4R,9bR)-4-(4-Chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CAS 1217692-02-8C19H16ClNO2
4-(2,4-Dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid chemical structure, C19H15Cl2NO2, CAS 1212282-26-2
4-(2,4-Dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CAS 1212282-26-2C19H15Cl2NO2
4-Phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid chemical structure, C19H17NO2, CAS 353495-27-9
4-Phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CAS 353495-27-9C19H17NO2
4-(4-Bromophenyl)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C19H18BrNO, CAS 466684-29-7
4-(4-Bromophenyl)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 466684-29-7C19H18BrNO
8-Methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C19H18N2O2, CAS 353495-25-7
8-Methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 353495-25-7C19H18N2O2
8-Iodo-6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C19H17IN2O2, CAS 353495-20-2
8-Iodo-6-methyl-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 353495-20-2C19H17IN2O2
4-(4-Bromophenyl)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C19H18BrNO, CAS 5477-19-0
4-(4-Bromophenyl)-6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 5477-19-0C19H18BrNO
4-(2-Chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid chemical structure, C19H16ClNO2, CAS 467446-52-2
4-(2-Chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
CAS 467446-52-2C19H16ClNO2
4-(2-Chlorophenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline chemical structure, C18H15ClN2O2, CAS 467446-57-7
4-(2-Chlorophenyl)-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CAS 467446-57-7C18H15ClN2O2
Phox-i2 chemical structure, C18H15N3O4, CAS 353495-22-4
Phox-i2
CAS 353495-22-4C18H15N3O4
4-(4-Fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid chemical structure, C19H16FNO2, CAS 353484-06-7
4-(4-Fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CAS 353484-06-7C19H16FNO2
Ethyl 4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate chemical structure, C21H20N2O4, CAS 353495-32-6
Ethyl 4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CAS 353495-32-6C21H20N2O4
Ethyl 4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate chemical structure, C21H20BrNO2, CAS 353484-04-5
Ethyl 4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CAS 353484-04-5C21H20BrNO2
Ethyl 4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate chemical structure, C21H19Cl2NO2, CAS 471290-60-5
Ethyl 4-(2,3-dichlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CAS 471290-60-5C21H19Cl2NO2
4-(3-Nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid chemical structure, C19H16N2O4, CAS 306969-25-5
4-(3-Nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CAS 306969-25-5C19H16N2O4
4-(4-Bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid chemical structure, C19H16BrNO2, CAS 306969-24-4
4-(4-Bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid
CAS 306969-24-4C19H16BrNO2
N-[4-(4-Bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide chemical structure, C20H19BrN2O, CAS 312713-79-4
N-[4-(4-Bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]acetamide
CAS 312713-79-4C20H19BrN2O
Ethyl 4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate chemical structure, C21H21NO2, CAS 487001-11-6
Ethyl 4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
CAS 487001-11-6C21H21NO2
4-(4-Bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinoline-8-sulfonamide chemical structure, C18H17BrN2O2S, CAS 360791-49-7
4-(4-Bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta(c)quinoline-8-sulfonamide
CAS 360791-49-7C18H17BrN2O2S