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Murcko scaffold

Ring system with 3 rings and 16 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
22
With full pages
3
Scaffold SMILES

C=C1CCCC1n1cnc2c(=O)[nH]cnc21

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=C1CCCC1n1cnc2c(=O)[nH]cnc21

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 22 of 22 chemicals

Entecavir chemical structure, C12H15N5O3, CAS 142217-69-4
Entecavir
CAS 142217-69-4C12H15N5O3
[[(1R,3S,5S)-3-(2-Azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate chemical structure, C12H18N5O12P3, CAS 336608-44-7
[[(1R,3S,5S)-3-(2-Azanyl-6-oxidanylidene-3H-purin-9-yl)-2-methylidene-5-oxidanyl-cyclopentyl]methoxy-oxidanyl-phosphory l] phosphono hydrogen phosphate
CAS 336608-44-7C12H18N5O12P3
Entecavir maleate chemical structure, C16H19N5O7, CAS 911138-73-3
Entecavir maleate
CAS 911138-73-3C16H19N5O7
Entecavir hydrate chemical structure, C12H17N5O4, CAS 209216-23-9
Entecavir hydrate
CAS 209216-23-9C12H17N5O4
Entecavir impurity A chemical structure, C12H15N5O3, CAS 1333204-94-6
Entecavir impurity A
CAS 1333204-94-6C12H15N5O3
2-Amino-9-((1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one chemical structure, C12H15N5O3, CAS 188399-46-4
2-Amino-9-((1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
CAS 188399-46-4C12H15N5O3
Entecavir 1-epimer chemical structure, C12H15N5O3, CAS 1367369-78-5
Entecavir 1-epimer
CAS 1367369-78-5C12H15N5O3
2-Amino-9-(4-hydroxy-3-hydroxymethyl-2-methylene-cyclopentyl)-1,9-dihydro-purin-6-one monohydrate chemical structure, C12H17N5O4, CAS 1333150-91-6
2-Amino-9-(4-hydroxy-3-hydroxymethyl-2-methylene-cyclopentyl)-1,9-dihydro-purin-6-one monohydrate
CAS 1333150-91-6C12H17N5O4
Entecavir 4-epimer chemical structure, C12H15N5O3, CAS 1367369-80-9
Entecavir 4-epimer
CAS 1367369-80-9C12H15N5O3
4-Dimethylsilyl entecavir chemical structure, C14H21N5O3Si, CAS 870614-82-7
4-Dimethylsilyl entecavir
CAS 870614-82-7C14H21N5O3Si
Entecavir EP impurity B chemical structure, C12H15N5O3, CAS 1367369-77-4
Entecavir EP impurity B
CAS 1367369-77-4C12H15N5O3
2-Amino-9-((1R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one chemical structure, C12H15N5O3, CAS 1367369-81-0
2-Amino-9-((1R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl)-1,9-dihydro-6H-purin-6-one
CAS 1367369-81-0C12H15N5O3
(1R,3R,4R)-Entecavir chemical structure, C12H15N5O3, CAS 1367369-76-3
(1R,3R,4R)-Entecavir
CAS 1367369-76-3C12H15N5O3
(1S,3S,4R)-Entecavir chemical structure, C12H15N5O3, CAS 1367369-79-6
(1S,3S,4R)-Entecavir
CAS 1367369-79-6C12H15N5O3
Entecavir-(R)-methylethyl carboxylic acid chemical structure, C15H19N5O5, CAS 1415118-53-4
Entecavir-(R)-methylethyl carboxylic acid
CAS 1415118-53-4C15H19N5O5
Entecavir impurity 33 chemical structure, C15H19N5O5, CAS 1415118-52-3
Entecavir impurity 33
CAS 1415118-52-3C15H19N5O5
1R 3S 4R-Entecavir H2O chemical structure, C12H17N5O4
1R 3S 4R-Entecavir H2O
C12H17N5O4
8-Methoxy entecavir chemical structure, C13H17N5O4, CAS 2349444-69-3
8-Methoxy entecavir
CAS 2349444-69-3C13H17N5O4
ETV MP, Baraclude monophosphate chemical structure, C12H16N5O6P, CAS 1103994-53-1
ETV MP, Baraclude monophosphate
CAS 1103994-53-1C12H16N5O6P
Entecavir-13C2,15N chemical structure, C12H15N5O3, CAS 1329796-53-3
Entecavir-13C2,15N
CAS 1329796-53-3C12H15N5O3
2-Amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-8-methoxy-1H-purin-6-one chemical structure, C13H17N5O4, CAS 2203740-23-0
2-Amino-9-[(1R,3S,4R)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-8-methoxy-1H-purin-6-one
CAS 2203740-23-0C13H17N5O4
ETV DP, Baraclude diphosphate chemical structure, C12H17N5O9P2, CAS 1348548-74-2
ETV DP, Baraclude diphosphate
CAS 1348548-74-2C12H17N5O9P2