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Murcko scaffold

Ring system with 7 rings and 20 atoms

32 chemicals on CompoundList share this ring system.

Rings
7
Scaffold atoms
20
Chemicals
32
With full pages
1
Scaffold SMILES

C=C1CN2C3CC45CC3C1CC2C4Nc1ccccc15

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 C=C1CN2C3CC45CC3C1CC2C4Nc1ccccc15

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 32 of 32 chemicals

(2alpha,17S,19E)-19,20-Didehydro-17-hydroxyajmalan-16-carboxylic acid methyl ester chemical structure, C22H26N2O3
(2alpha,17S,19E)-19,20-Didehydro-17-hydroxyajmalan-16-carboxylic acid methyl ester
C22H26N2O3
(2alpha,17S,19E)-19,20-Didehydro-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester chemical structure, C21H24N2O3
(2alpha,17S,19E)-19,20-Didehydro-1-demethyl-17-hydroxyajmalan-16-carboxylic acid methyl ester
C21H24N2O3
Nortetraphyllicine chemical structure, C19H22N2O, CAS 68160-76-9
Nortetraphyllicine
CAS 68160-76-9C19H22N2O
Quebrachidine chemical structure, C21H24N2O3, CAS 4835-69-2
Quebrachidine
CAS 4835-69-2C21H24N2O3
Methyl (13E)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate chemical structure, C22H26N2O3, CAS 2506-26-5
Methyl (13E)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
CAS 2506-26-5C22H26N2O3
Vincarine chemical structure, C21H24N2O3
Vincarine
C21H24N2O3
Vincamajine chemical structure, C22H26N2O3
Vincamajine
C22H26N2O3
Tetraphyllicine chemical structure, C20H24N2O, CAS 509-38-6
Tetraphyllicine
CAS 509-38-6C20H24N2O
(+)-Quebrachidine chemical structure, C21H24N2O3, CAS 21641-60-1
(+)-Quebrachidine
CAS 21641-60-1C21H24N2O3
Methyl (10S,13E,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate chemical structure, C21H24N2O3
Methyl (10S,13E,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
C21H24N2O3
Alstiphyllanine A chemical structure, C24H28N2O5, CAS 1124378-30-8
Alstiphyllanine A
CAS 1124378-30-8C24H28N2O5
N-Methylquebrachidine chemical structure, C22H26N2O3
N-Methylquebrachidine
C22H26N2O3
Nortetraphyllicine chemical structure, C19H22N2O
Nortetraphyllicine
C19H22N2O
(1R,9R,10S,12R,13E,16S)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol chemical structure, C19H22N2O
(1R,9R,10S,12R,13E,16S)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
C19H22N2O
Herbadine chemical structure, C21H24N2O4, CAS 38485-12-0
Herbadine
CAS 38485-12-0C21H24N2O4
(1S,9S,10R,12S,13E,16R,18S)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol chemical structure, C19H22N2O
(1S,9S,10R,12S,13E,16R,18S)-13-Ethylidene-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-ol
C19H22N2O
Methyl (1R,10S,12S,13E,16S,18R)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate chemical structure, C21H24N2O3
Methyl (1R,10S,12S,13E,16S,18R)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
C21H24N2O3
Methyl (1R,13Z,16S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate chemical structure, C22H26N2O3
Methyl (1R,13Z,16S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
C22H26N2O3
(17R,19E)-19,20-Didehydro-1-demethylajmalan-17-ol chemical structure, C19H22N2O
(17R,19E)-19,20-Didehydro-1-demethylajmalan-17-ol
C19H22N2O
Methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate chemical structure, C22H26N2O3
Methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
C22H26N2O3
(17R,19E)-19,20-Didehydro-12-methoxyajmalan-17-ol chemical structure, C21H26N2O2, CAS 3911-20-4
(17R,19E)-19,20-Didehydro-12-methoxyajmalan-17-ol
CAS 3911-20-4C21H26N2O2
Ajmalan-17-ol, 19,20-didehydro-10-methoxy-, acetate (ester), (17R,19E)- chemical structure, C23H28N2O3, CAS 6519-30-8
Ajmalan-17-ol, 19,20-didehydro-10-methoxy-, acetate (ester), (17R,19E)-
CAS 6519-30-8C23H28N2O3
Methyl (4R,16R,17S,19E)-17-hydroxy-7beta-2,7-dihydro-7,17-cyclosarpagan-16-carboxylate chemical structure, C21H24N2O3
Methyl (4R,16R,17S,19E)-17-hydroxy-7beta-2,7-dihydro-7,17-cyclosarpagan-16-carboxylate
C21H24N2O3
Methyl (9S,10S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate chemical structure, C21H24N2O3
Methyl (9S,10S,13E,16S,18S)-13-ethylidene-18-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
C21H24N2O3