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Murcko scaffold

Ring system with 4 rings and 19 atoms

17 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
19
Chemicals
17
With full pages
3
Scaffold SMILES

O=C1NCC(=O)N2Cc3[nH]c4ccccc4c3CC12

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=C1NCC(=O)N2Cc3[nH]c4ccccc4c3CC12

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 17 of 17 chemicals

tert-Butyl 3-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C23H29N3O4, CAS 211359-78-3
tert-Butyl 3-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 211359-78-3C23H29N3O4
tert-Butyl 3-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C25H33N3O4, CAS 211359-82-9
tert-Butyl 3-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 211359-82-9C25H33N3O4
(S)-2,3,12,12a-Tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione chemical structure, C14H13N3O2, CAS 354765-04-1
(S)-2,3,12,12a-Tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
CAS 354765-04-1C14H13N3O2
(S)-tert-Butyl (1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)carbamate chemical structure, C19H22N4O4, CAS 956364-02-6
(S)-tert-Butyl (1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)carbamate
CAS 956364-02-6C19H22N4O4
Ko 143 chemical structure, C26H35N3O5, CAS 461054-93-3
Ko 143
CAS 461054-93-3C26H35N3O5
3-[(5S,8S)-4,7-Dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoic acid chemical structure, C17H17N3O4, CAS 944073-26-1
3-[(5S,8S)-4,7-Dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoic acid
CAS 944073-26-1C17H17N3O4
tert-Butyl 3-[(2S,5S,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C25H33N3O4, CAS 329356-45-8
tert-Butyl 3-[(2S,5S,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 329356-45-8C25H33N3O4
tert-Butyl 3-[(8S)-4,7-dioxo-2-pentyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C26H35N3O4, CAS 211359-81-8
tert-Butyl 3-[(8S)-4,7-dioxo-2-pentyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 211359-81-8C26H35N3O4
6,6-Dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione chemical structure, C16H17N3O2, CAS 1796891-33-2
6,6-Dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
CAS 1796891-33-2C16H17N3O2
Bcrp-IN-1 chemical structure, C20H25N3O3, CAS 1699720-85-8
Bcrp-IN-1
CAS 1699720-85-8C20H25N3O3
tert-Butyl 3-[(2S,5R,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C25H33N3O4, CAS 329356-44-7
tert-Butyl 3-[(2S,5R,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 329356-44-7C25H33N3O4
(2S,5S,8R)-14-Methoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione chemical structure, C20H25N3O3, CAS 1699720-89-2
(2S,5S,8R)-14-Methoxy-5-methyl-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CAS 1699720-89-2C20H25N3O3
tert-Butyl 3-[(2R,8S)-4,7-dioxo-2-propan-2-yl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C24H31N3O4, CAS 211359-83-0
tert-Butyl 3-[(2R,8S)-4,7-dioxo-2-propan-2-yl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 211359-83-0C24H31N3O4
tert-Butyl 3-[(2R,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate chemical structure, C25H33N3O4, CAS 329356-43-6
tert-Butyl 3-[(2R,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate
CAS 329356-43-6C25H33N3O4
Orb1944238 chemical structure, C25H34N4O4, CAS 2559759-59-8
Orb1944238
CAS 2559759-59-8C25H34N4O4
Orb1944239 chemical structure, C26H36N4O4, CAS 2559759-40-7
Orb1944239
CAS 2559759-40-7C26H36N4O4
Orb2945943 chemical structure, C24H32N4O4, CAS 2559759-63-4
Orb2945943
CAS 2559759-63-4C24H32N4O4