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Murcko scaffold

Ring system with 5 rings and 27 atoms

14 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
14
With full pages
2
Scaffold SMILES

N=C1c2ccccc2C(=O)c2cc3c(cc21)C(OC1CCCCO1)CCC3

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 N=C1c2ccccc2C(=O)c2cc3c(cc21)C(OC1CCCCO1)CCC3

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 14 of 14 chemicals

5-Iminodaunorubicin hydrochloride chemical structure, C27H31ClN2O9, CAS 67324-99-6
5-Iminodaunorubicin hydrochloride
CAS 67324-99-6C27H31ClN2O9
5-Iminodaunorubicin chemical structure, C27H30N2O9, CAS 72983-78-9
5-Iminodaunorubicin
CAS 72983-78-9C27H30N2O9
10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-5(8H)-naphthacenone chemical structure, C27H32N2O9, CAS 82267-09-2
10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,9,10,12-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-12-imino-1-methoxy-5(8H)-naphthacenone
CAS 82267-09-2C27H32N2O9
5-Iminodoxorubicin HCl chemical structure, C27H31ClN2O10
5-Iminodoxorubicin HCl
C27H31ClN2O10
GPX-150 hydrochloride chemical structure, C27H33ClN2O9, CAS 236095-24-2
GPX-150 hydrochloride
CAS 236095-24-2C27H33ClN2O9
Camsirubicin chemical structure, C27H32N2O9, CAS 236095-26-4
Camsirubicin
CAS 236095-26-4C27H32N2O9
3,5,12-Trihydroxy-3-(hydroxyacetyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1) chemical structure, C27H31ClN2O10, CAS 77331-69-2
3,5,12-Trihydroxy-3-(hydroxyacetyl)-11-imino-10-methoxy-6-oxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
CAS 77331-69-2C27H31ClN2O10
5-Iminodoxorubicin chemical structure, C27H30N2O10, CAS 84275-95-6
5-Iminodoxorubicin
CAS 84275-95-6C27H30N2O10
5-Iminodoxorubicin hydrochloride chemical structure, C27H31ClN2O10
5-Iminodoxorubicin hydrochloride
C27H31ClN2O10
10-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one chemical structure, C27H32N2O9
10-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
C27H32N2O9
(8R,10S)-10-[(2R,4S,5R,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one chemical structure, C27H32N2O9, CAS 236095-29-7
(8R,10S)-10-[(2R,4S,5R,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
CAS 236095-29-7C27H32N2O9
(8R,10S)-10-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one chemical structure, C27H32N2O9
(8R,10S)-10-[(2S,4S,5R,6S)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
C27H32N2O9
(8S,10R)-10-[(2S,4R,5S,6R)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one chemical structure, C27H32N2O9
(8S,10R)-10-[(2S,4R,5S,6R)-4-Amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
C27H32N2O9
(8R)-10-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one chemical structure, C27H32N2O9
(8R)-10-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,8,11-trihydroxy-8-(2-hydroxyethyl)-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one
C27H32N2O9