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Murcko scaffold

Ring system with 3 rings and 16 atoms

81 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
81
With full pages
5
Scaffold SMILES

C1=CC2=CCNCC2C(c2ccccc2)C1

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=CC2=CCNCC2C(c2ccccc2)C1

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 48 of 81 chemicals

6-Amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C22H23N5O2, CAS 302778-09-2
6-Amino-8-(2,3-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 302778-09-2C22H23N5O2
Ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C25H27N5O4, CAS 494791-97-8
Ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 494791-97-8C25H27N5O4
Ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C23H23N5O3, CAS 459150-56-2
Ethyl 6-amino-5,7,7-tricyano-8-(2-ethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 459150-56-2C23H23N5O3
Ethyl 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C25H27N5O4, CAS 494792-03-9
Ethyl 6-amino-5,7,7-tricyano-8-(3,4-diethoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 494792-03-9C25H27N5O4
Ethyl 6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate chemical structure, C26H29N5O4, CAS 445222-43-5
Ethyl 6-amino-8-(4-butoxy-3-methoxyphenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS 445222-43-5C26H29N5O4
Ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C22H20FN5O3, CAS 459155-69-2
Ethyl 6-amino-5,7,7-tricyano-8-(2-fluoro-5-methoxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 459155-69-2C22H20FN5O3
Ethyl 6-amino-5,7,7-tricyano-8-(3-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C21H18FN5O2, CAS 488783-67-1
Ethyl 6-amino-5,7,7-tricyano-8-(3-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 488783-67-1C21H18FN5O2
Ethyl 6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C21H18FN5O2, CAS 1310909-47-7
Ethyl 6-amino-5,7,7-tricyano-8-(4-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 1310909-47-7C21H18FN5O2
2-Acetyl-6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C22H21N5O3, CAS 413576-59-7
2-Acetyl-6-amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 413576-59-7C22H21N5O3
(8R,8aR)-6-Amino-8-(2,3-dimethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile chemical structure, C21H21N5O2, CAS 488783-75-1
(8R,8aR)-6-Amino-8-(2,3-dimethoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS 488783-75-1C21H21N5O2
2-Acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C24H25N5O3, CAS 494792-15-3
2-Acetyl-6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 494792-15-3C24H25N5O3
6-Amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C21H19F2N5, CAS 445462-63-5
6-Amino-8-(2,4-difluorophenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 445462-63-5C21H19F2N5
Ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate chemical structure, C23H23N5O4, CAS 494792-25-5
Ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3,5-dimethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS 494792-25-5C23H23N5O4
6-Amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C20H17Cl2N5, CAS 494792-00-6
6-Amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 494792-00-6C20H17Cl2N5
Ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate chemical structure, C21H17F2N5O2, CAS 494792-80-2
Ethyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(2,4-difluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS 494792-80-2C21H17F2N5O2
6-Amino-8-(3-chlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C20H18ClN5, CAS 1212399-04-6
6-Amino-8-(3-chlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 1212399-04-6C20H18ClN5
6-Amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C25H29N5, CAS 459153-47-0
6-Amino-8-(4-tert-butylphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 459153-47-0C25H29N5
Ethyl 6-amino-5,7,7-tricyano-8-(2-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate chemical structure, C21H18FN5O2, CAS 488783-66-0
Ethyl 6-amino-5,7,7-tricyano-8-(2-fluorophenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
CAS 488783-66-0C21H18FN5O2
6-Amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C20H19N5O2, CAS 459153-37-8
6-Amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 459153-37-8C20H19N5O2
6-Amino-8-(2,5-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C22H23N5O2, CAS 459147-36-5
6-Amino-8-(2,5-dimethoxyphenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 459147-36-5C22H23N5O2
6-Amino-8-(4-isopropoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C22H23N5O, CAS 459155-66-9
6-Amino-8-(4-isopropoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 459155-66-9C22H23N5O
(8R,8aR)-6-Amino-8-(2-fluoro-5-methoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile chemical structure, C22H22FN5O, CAS 494792-39-1
(8R,8aR)-6-Amino-8-(2-fluoro-5-methoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CAS 494792-39-1C22H22FN5O
(8R,8aR)-6-Amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile chemical structure, C20H19N5O2, CAS 459153-50-5
(8R,8aR)-6-Amino-8-(2,5-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
CAS 459153-50-5C20H19N5O2
6-Amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile chemical structure, C18H13Cl2N5, CAS 494792-12-0
6-Amino-8-(2,3-dichlorophenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
CAS 494792-12-0C18H13Cl2N5