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Murcko scaffold

Ring system with 3 rings and 14 atoms

25 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
25
With full pages
9
Scaffold SMILES

S=c1[nH]c2cccc3c2n1CCNC3

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 S=c1[nH]c2cccc3c2n1CCNC3

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 25 of 25 chemicals

(5S)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione chemical structure, C16H21N3S, CAS 126320-77-2
(5S)-4,5,6,7-Tetrahydro-5-methyl-6-(3-methyl-2-buten-1-yl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
CAS 126320-77-2C16H21N3S
9-Cl-Tibo chemical structure, C16H20ClN3S, CAS 126347-69-1
9-Cl-Tibo
CAS 126347-69-1C16H20ClN3S
Tivirapine chemical structure, C16H20ClN3S, CAS 137332-54-8
Tivirapine
CAS 137332-54-8C16H20ClN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-propenyl)-, (5S)- chemical structure, C15H19N3S, CAS 136722-77-5
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-propenyl)-, (5S)-
CAS 136722-77-5C15H19N3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl- chemical structure, C14H19N3S, CAS 136779-94-7
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-propyl-
CAS 136779-94-7C14H19N3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, (S)- chemical structure, C18H24ClN3S, CAS 136722-76-4
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-, (S)-
CAS 136722-76-4C18H24ClN3S
(+)-(S)-4,5,6,7-Tetrahydro-8-fluoro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2-(1H)-thione chemical structure, C16H20FN3S, CAS 137332-55-9
(+)-(S)-4,5,6,7-Tetrahydro-8-fluoro-5-methyl-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepine-2-(1H)-thione
CAS 137332-55-9C16H20FN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C16H21N3S, CAS 136779-93-6
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS 136779-93-6C16H21N3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (R)- chemical structure, C16H20ClN3S, CAS 131645-71-1
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (R)-
CAS 131645-71-1C16H20ClN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)- chemical structure, C17H20F3N3S, CAS 257891-73-9
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-9-(trifluoromethyl)-
CAS 257891-73-9C17H20F3N3S
9-Chloro-4,5,6,7-tetrahydro-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-thione chemical structure, C15H18ClN3S, CAS 162929-97-7
9-Chloro-4,5,6,7-tetrahydro-6-(3-methyl-2-butenyl)imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-thione
CAS 162929-97-7C15H18ClN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-10-methoxy-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C17H23N3OS, CAS 257891-62-6
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-10-methoxy-5-methyl-6-(3-methyl-2-butenyl)-
CAS 257891-62-6C17H23N3OS
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-ethoxy-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C18H25N3OS, CAS 257891-63-7
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-ethoxy-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS 257891-63-7C18H25N3OS
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-bromo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C16H20BrN3S, CAS 257891-64-8
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-bromo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS 257891-64-8C16H20BrN3S
5-Chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione chemical structure, C16H20ClN3S, CAS 257891-65-9
5-Chloro-8-methyl-7-(3-methylbut-2-en-1-yl)-6,7,8,9-tetrahydro-2,7,9a-triazabenzo[cd]azulene-1(2H)-thione
CAS 257891-65-9C16H20ClN3S
Tibo cacvii-23 chemical structure, C16H20FN3S, CAS 257891-66-0
Tibo cacvii-23
CAS 257891-66-0C16H20FN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo- chemical structure, C17H20N4S, CAS 257891-67-1
Imidazo(4,5,1-jk)(1,4)benzodiazepine-8-carbonitrile, 1,2,4,5,6,7-hexahydro-5-methyl-6-(3-methyl-2-butenyl)-2-thioxo-
CAS 257891-67-1C17H20N4S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-methyl-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C17H23N3S, CAS 257891-68-2
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-methyl-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS 257891-68-2C17H23N3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-iodo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C16H20IN3S, CAS 257891-69-3
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-iodo-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS 257891-69-3C16H20IN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-ethynyl-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)- chemical structure, C18H21N3S, CAS 257891-70-6
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 8-ethynyl-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-
CAS 257891-70-6C18H21N3S
9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione chemical structure, C16H20ClN3S, CAS 257891-71-7
9-Chloro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
CAS 257891-71-7C16H20ClN3S
9-Fluoro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione chemical structure, C16H20FN3S, CAS 257891-72-8
9-Fluoro-5-methyl-6-(3-methylbut-2-en-1-yl)-4,5,6,7-tetrahydroimidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione
CAS 257891-72-8C16H20FN3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-propenyl)- chemical structure, C15H19N3S, CAS 257891-75-1
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 4,5,6,7-tetrahydro-5-methyl-6-(2-methyl-2-propenyl)-
CAS 257891-75-1C15H19N3S
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl- chemical structure, C18H24ClN3S, CAS 257891-76-2
Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione, 9-chloro-6-(3-ethyl-2-pentenyl)-4,5,6,7-tetrahydro-5-methyl-
CAS 257891-76-2C18H24ClN3S