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Murcko scaffold

Ring system with 6 rings and 25 atoms

9 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
25
Chemicals
9
With full pages
1
Scaffold SMILES

C1=C2CC3C4CCCCC4=CCC3C2CCC12CC1NCCCC1O2

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=C2CC3C4CCCCC4=CCC3C2CCC12CC1NCCCC1O2

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 9 of 9 chemicals

Cyclopamine chemical structure, C27H41NO2, CAS 4449-51-8
Cyclopamine
CAS 4449-51-8C27H41NO2
4'-(2-Aminoethyl)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol chemical structure, C29H46N2O2
4'-(2-Aminoethyl)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-ol
C29H46N2O2
N-(2-Aminoethyl) cyclopamine chemical structure, C29H46N2O2, CAS 334616-31-8
N-(2-Aminoethyl) cyclopamine
CAS 334616-31-8C29H46N2O2
N-(2-Aminoethyl) cyclopamine chemical structure, C29H46N2O2
N-(2-Aminoethyl) cyclopamine
C29H46N2O2
Cyclopamine tartrate chemical structure, C28H45NO2, CAS 1178510-81-0
Cyclopamine tartrate
CAS 1178510-81-0C28H45NO2
tert-Butyl (3S,3'R,3A'S,6AS,6BS,6'S,7A'R,9R,11AS,11BR)-3-ethoxy-3',6',10,11B-tetramethyl-1,2,3,3',3A',4,5',6,6A,6B,6',7,7',7A',8,11,11A,11B-octadecahydro-4'H-spiro[benzo[A]fluorene-9,2'-furo[3,2-B]pyridine]-4'-carboxylate chemical structure, C34H53NO4, CAS 2766023-44-1
tert-Butyl (3S,3'R,3A'S,6AS,6BS,6'S,7A'R,9R,11AS,11BR)-3-ethoxy-3',6',10,11B-tetramethyl-1,2,3,3',3A',4,5',6,6A,6B,6',7,7',7A',8,11,11A,11B-octadecahydro-4'H-spiro[benzo[A]fluorene-9,2'-furo[3,2-B]pyridine]-4'-carboxylate
CAS 2766023-44-1C34H53NO4
tert-Butyl (3S,3'R,3A'S,6AS,6BS,6'S,7A'R,9R,11AS,11BR)-3-hydroxy-3',6',10,11B-tetramethyl-1,2,3,3',3A',4,5',6,6A,6B,6',7,7',7A',8,11,11A,11B-octadecahydro-4'H-spiro[benzo[A]fluorene-9,2'-furo[3,2-B]pyridine]-4'-carboxylate chemical structure, C32H49NO4, CAS 2766023-42-9
tert-Butyl (3S,3'R,3A'S,6AS,6BS,6'S,7A'R,9R,11AS,11BR)-3-hydroxy-3',6',10,11B-tetramethyl-1,2,3,3',3A',4,5',6,6A,6B,6',7,7',7A',8,11,11A,11B-octadecahydro-4'H-spiro[benzo[A]fluorene-9,2'-furo[3,2-B]pyridine]-4'-carboxylate
CAS 2766023-42-9C32H49NO4
3',6',10,11b-Tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol, methane chemical structure, C28H45NO2
3',6',10,11b-Tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol, methane
C28H45NO2
N-(2-Aminoethyl) cyclopamine chemical structure, C29H46N2O2
N-(2-Aminoethyl) cyclopamine
C29H46N2O2