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Murcko scaffold

Ring system with 3 rings and 27 atoms

55 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
27
Chemicals
55
With full pages
8
Scaffold SMILES

O=C(CSc1nnc(CCNC(=O)c2ccccc2)[nH]1)Nc1ccccc1

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(CSc1nnc(CCNC(=O)c2ccccc2)[nH]1)Nc1ccccc1

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 55 chemicals

N-{2-[5-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide chemical structure, C21H22FN5O3S, CAS 767326-33-0
N-{2-[5-({2-[(2-Fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-4-methoxybenzamide
CAS 767326-33-0C21H22FN5O3S
2-Fluoro-N-{2-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide chemical structure, C20H19F2N5O2S, CAS 767326-29-4
2-Fluoro-N-{2-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
CAS 767326-29-4C20H19F2N5O2S
N-[2-[5-[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide chemical structure, C24H29N5O3S, CAS 767324-37-8
N-[2-[5-[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CAS 767324-37-8C24H29N5O3S
N-[2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide chemical structure, C22H22FN5O2S, CAS 714203-90-4
N-[2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
CAS 714203-90-4C22H22FN5O2S
N-[2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide chemical structure, C21H23N5O3S, CAS 717861-73-9
N-[2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CAS 717861-73-9C21H23N5O3S
4-Chloro-N-[2-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C23H23Cl2N5O2S, CAS 708250-49-1
4-Chloro-N-[2-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 708250-49-1C23H23Cl2N5O2S
Methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate chemical structure, C22H22ClN5O4S, CAS 708251-34-7
Methyl 4-[({[5-(2-{[(4-chlorophenyl)carbonyl]amino}ethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
CAS 708251-34-7C22H22ClN5O4S
4-Chloro-N-[2-[5-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C21H21ClFN5O2S, CAS 708286-92-4
4-Chloro-N-[2-[5-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 708286-92-4C21H21ClFN5O2S
N-[2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide chemical structure, C22H21Cl2N5O2S, CAS 714281-22-8
N-[2-[5-(2-Anilino-2-oxoethyl)sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide
CAS 714281-22-8C22H21Cl2N5O2S
3,4-Dichloro-N-[2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C22H23Cl2N5O2S, CAS 714281-25-1
3,4-Dichloro-N-[2-[5-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 714281-25-1C22H23Cl2N5O2S
N-[2-[5-[2-(4-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide chemical structure, C23H23ClFN5O2S, CAS 714281-35-3
N-[2-[5-[2-(4-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
CAS 714281-35-3C23H23ClFN5O2S
N-[2-[5-[2-(4-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide chemical structure, C23H26ClN5O3S, CAS 714281-36-4
N-[2-[5-[2-(4-Chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CAS 714281-36-4C23H26ClN5O3S
3,4-Dichloro-N-[2-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C21H20Cl3N5O3S, CAS 714281-53-5
3,4-Dichloro-N-[2-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 714281-53-5C21H20Cl3N5O3S
N-[2-[5-[2-(2,3-Dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide chemical structure, C21H20Cl2FN5O2S, CAS 767324-56-1
N-[2-[5-[2-(2,3-Dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
CAS 767324-56-1C21H20Cl2FN5O2S
N-[2-[5-[2-(2,3-Dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide chemical structure, C21H21Cl2N5O3S, CAS 714281-58-0
N-[2-[5-[2-(2,3-Dichloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CAS 714281-58-0C21H21Cl2N5O3S
3,4-Dichloro-N-[2-[5-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C21H19Cl4N5O2S, CAS 714281-60-4
3,4-Dichloro-N-[2-[5-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 714281-60-4C21H19Cl4N5O2S
3,4-Dichloro-N-[2-[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C22H23Cl2N5O3S, CAS 714281-63-7
3,4-Dichloro-N-[2-[4-ethyl-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 714281-63-7C22H23Cl2N5O3S
3,4-Dichloro-N-[2-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C21H21Cl2N5O3S, CAS 714281-66-0
3,4-Dichloro-N-[2-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 714281-66-0C21H21Cl2N5O3S
3,4-Dichloro-N-[2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide chemical structure, C21H20Cl2N6O4S, CAS 714281-70-6
3,4-Dichloro-N-[2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CAS 714281-70-6C21H20Cl2N6O4S
N-[2-[5-[2-(4-Bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide chemical structure, C21H21BrFN5O2S, CAS 792943-27-2
N-[2-[5-[2-(4-Bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
CAS 792943-27-2C21H21BrFN5O2S
N-[2-[5-[2-(4-Bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide chemical structure, C21H20BrCl2N5O2S, CAS 714281-84-2
N-[2-[5-[2-(4-Bromoanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzamide
CAS 714281-84-2C21H20BrCl2N5O2S
N-[2-[5-[2-(4-Bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide chemical structure, C21H22BrN5O3S, CAS 714281-85-3
N-[2-[5-[2-(4-Bromoanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CAS 714281-85-3C21H22BrN5O3S
N-[2-[5-[2-(4-Bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide chemical structure, C20H18BrClFN5O2S, CAS 767325-21-3
N-[2-[5-[2-(4-Bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide
CAS 767325-21-3C20H18BrClFN5O2S
N-[2-[5-[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide chemical structure, C22H23ClFN5O3S, CAS 714282-08-3
N-[2-[5-[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CAS 714282-08-3C22H23ClFN5O3S