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Murcko scaffold

Ring system with 2 rings and 23 atoms

23 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
23
Chemicals
23
With full pages
3
Scaffold SMILES

O=C1C=CC=CCCC=CCCCCCCc2cccc(c2)N1

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=C1C=CC=CCCC=CCCCCCCc2cccc(c2)N1

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 23 of 23 chemicals

18,21-Didehydro-18,21-dideoxo-18,21-dihydroxygeldanamycin chemical structure, C29H42N2O9, CAS 169521-90-8
18,21-Didehydro-18,21-dideoxo-18,21-dihydroxygeldanamycin
CAS 169521-90-8C29H42N2O9
2-Azabicyclo(16.3.1)docosa-1(22),4,6,10,18,20-hexaen-3-one, 20,22-bis(acetyloxy)-9-((aminocarbonyl)oxy)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl- chemical structure, C33H46N2O11, CAS 30562-35-7
2-Azabicyclo(16.3.1)docosa-1(22),4,6,10,18,20-hexaen-3-one, 20,22-bis(acetyloxy)-9-((aminocarbonyl)oxy)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-
CAS 30562-35-7C33H46N2O11
Macbecin II chemical structure, C30H44N2O8, CAS 73341-73-8
Macbecin II
CAS 73341-73-8C30H44N2O8
Antibiotic C 33196E5R chemical structure, C29H42N2O8, CAS 86683-20-7
Antibiotic C 33196E5R
CAS 86683-20-7C29H42N2O8
Antibiotic C 33196E7R chemical structure, C28H40N2O8, CAS 86782-16-3
Antibiotic C 33196E7R
CAS 86782-16-3C28H40N2O8
Retaspimycin chemical structure, C31H45N3O8, CAS 857402-23-4
Retaspimycin
CAS 857402-23-4C31H45N3O8
Retaspimycin hydrochloride chemical structure, C31H46ClN3O8, CAS 857402-63-2
Retaspimycin hydrochloride
CAS 857402-63-2C31H46ClN3O8
Dihydro-herbimycin A chemical structure, C30H44N2O9, CAS 91700-93-5
Dihydro-herbimycin A
CAS 91700-93-5C30H44N2O9
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-[(prop-2-en-1-yl)amino]-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate hydrochloride chemical structure, C31H46ClN3O8, CAS 3070877-27-6
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,20,22-Trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-19-[(prop-2-en-1-yl)amino]-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate hydrochloride
CAS 3070877-27-6C31H46ClN3O8
Dihydro-herbimycin B chemical structure, C29H42N2O9, CAS 91700-91-3
Dihydro-herbimycin B
CAS 91700-91-3C29H42N2O9
Dihydro-herbimycin B chemical structure, C29H42N2O9
Dihydro-herbimycin B
C29H42N2O9
18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15R-methoxy-geldanamycin chemical structure, C29H42N2O9
18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15R-methoxy-geldanamycin
C29H42N2O9
(15R)-18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-11-O-methyl-geldanamycin chemical structure, C30H44N2O9
(15R)-18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-11-O-methyl-geldanamycin
C30H44N2O9
TAN 420C chemical structure, C29H42N2O9
TAN 420C
C29H42N2O9
Dihydroherbimycin A chemical structure, C30H44N2O9
Dihydroherbimycin A
C30H44N2O9
(15R)-18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-11-O-methylgeldanamycin chemical structure, C30H44N2O9
(15R)-18,21-Didehydro-17-demethoxy-18,21-dideoxo-18,21-dihydroxy-15-methoxy-11-O-methylgeldanamycin
C30H44N2O9
TAN 420C chemical structure, C29H42N2O9
TAN 420C
C29H42N2O9
[(4Z,6E,9S,10E,12S,13R,16S)-13,20,22-Trihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate chemical structure, C29H42N2O9
[(4Z,6E,9S,10E,12S,13R,16S)-13,20,22-Trihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
C29H42N2O9
TAN 420E chemical structure, C30H44N2O9
TAN 420E
C30H44N2O9
[(8S,9S,12S,13R,14S,16S,17R)-13,20,22-Trihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate chemical structure, C29H42N2O9
[(8S,9S,12S,13R,14S,16S,17R)-13,20,22-Trihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate
C29H42N2O9
TAN 420C chemical structure, C29H42N2O9
TAN 420C
C29H42N2O9
Antibiotic TAN 420E chemical structure, C30H44N2O9
Antibiotic TAN 420E
C30H44N2O9
Orb1693773 chemical structure, C30H44N2O9
Orb1693773
C30H44N2O9