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Murcko scaffold

DREADD agonist 21 scaffold

33 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
33
With full pages
12
Scaffold SMILES

c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2

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 scaffoldOpen the DREADD agonist 21 page
Murcko scaffold c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2

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 33 of 33 chemicals

11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine chemical structure, C18H20N4, CAS 1977-07-7
11-(4-Methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine
CAS 1977-07-7C18H20N4
Isoclozapine chemical structure, C18H19ClN4, CAS 1977-08-8
Isoclozapine
CAS 1977-08-8C18H19ClN4
[6-(4-Methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate chemical structure, C19H19F3N4O3S, CAS 183140-97-8
[6-(4-Methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-8-yl] trifluoromethanesulfonate
CAS 183140-97-8C19H19F3N4O3S
1-(8-Chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethanone chemical structure, C20H21ClN4O, CAS 1025951-76-1
1-(8-Chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethanone
CAS 1025951-76-1C20H21ClN4O
11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-ol chemical structure, C18H20N4O, CAS 156632-07-4
11-(4-Methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-ol
CAS 156632-07-4C18H20N4O
DREADD agonist 21 chemical structure, C17H18N4, CAS 56296-18-5
DREADD agonist 21
CAS 56296-18-5C17H18N4
2-Methoxy-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine chemical structure, C19H22N4O, CAS 95316-97-5
2-Methoxy-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]diazepine
CAS 95316-97-5C19H22N4O
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-7-ol chemical structure, C18H19ClN4O, CAS 355004-92-1
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-7-ol
CAS 355004-92-1C18H19ClN4O
Clozapine 5-oxide chemical structure, C18H19ClN4O, CAS 1347975-16-9
Clozapine 5-oxide
CAS 1347975-16-9C18H19ClN4O
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-9-ol chemical structure, C18H19ClN4O, CAS 1239601-19-4
8-Chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo[b,e][1,4]diazepin-9-ol
CAS 1239601-19-4C18H19ClN4O
DREADD agonist 21 dihydrochloride chemical structure, C17H20Cl2N4, CAS 2250025-92-2
DREADD agonist 21 dihydrochloride
CAS 2250025-92-2C17H20Cl2N4
Clozapine chemical structure, C18H19ClN4, CAS 5786-21-0
Clozapine
CAS 5786-21-0C18H19ClN4
N-Desmethylclozapine chemical structure, C17H17ClN4, CAS 6104-71-8
N-Desmethylclozapine
CAS 6104-71-8C17H17ClN4
Clozapine N-oxide chemical structure, C18H19ClN4O, CAS 34233-69-7
Clozapine N-oxide
CAS 34233-69-7C18H19ClN4O
5H-Dibenzo(b,e)(1,4)diazepin-2-ol, 8-chloro-11-(4-methyl-1-piperazinyl)- chemical structure, C18H19ClN4O, CAS 67104-25-0
5H-Dibenzo(b,e)(1,4)diazepin-2-ol, 8-chloro-11-(4-methyl-1-piperazinyl)-
CAS 67104-25-0C18H19ClN4O
6-(4-Methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-3-ol chemical structure, C18H20N4O, CAS 63687-94-5
6-(4-Methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-3-ol
CAS 63687-94-5C18H20N4O
Trifluoro-methanesulfonic acid 8-chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-yl ester chemical structure, C19H18ClF3N4O3S, CAS 234113-94-1
Trifluoro-methanesulfonic acid 8-chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepin-2-yl ester
CAS 234113-94-1C19H18ClF3N4O3S
11-(4-Methylpiperazino)-5H-dibenzo[b,e][1,4]diazepin-8-ol trifluoromethanesulfonate chemical structure, C19H19F3N4O3S, CAS 183140-96-7
11-(4-Methylpiperazino)-5H-dibenzo[b,e][1,4]diazepin-8-ol trifluoromethanesulfonate
CAS 183140-96-7C19H19F3N4O3S
Clozapine hydrochloride chemical structure, C18H20Cl2N4, CAS 54241-01-9
Clozapine hydrochloride
CAS 54241-01-9C18H20Cl2N4
5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-2-methoxy-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1) chemical structure, C23H25ClN4O5, CAS 67104-24-9
5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-2-methoxy-11-(4-methyl-1-piperazinyl)-, (Z)-2-butenedioate (1:1)
CAS 67104-24-9C23H25ClN4O5
Clozapine-d8 chemical structure, C18H19ClN4, CAS 1185053-50-2
Clozapine-d8
CAS 1185053-50-2C18H19ClN4
Clozapine-d3 chemical structure, C18H19ClN4, CAS 1215691-72-7
Clozapine-d3
CAS 1215691-72-7C18H19ClN4
N-Desmethyl clozapine-d8 chemical structure, C17H17ClN4, CAS 1189888-77-4
N-Desmethyl clozapine-d8
CAS 1189888-77-4C17H17ClN4
5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl-2,2,6,6-d4)- chemical structure, C18H19ClN4, CAS 204395-52-8
5H-Dibenzo(b,e)(1,4)diazepine, 8-chloro-11-(4-methyl-1-piperazinyl-2,2,6,6-d4)-
CAS 204395-52-8C18H19ClN4