Murcko scaffold
Norquetiapine scaffold
55 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 21
- Chemicals
- 55
- With full pages
- 15
Scaffold SMILES
c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2
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.
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 55 chemicals
Quetiapine
CAS 111974-69-7C21H25N3O2S
Dibenzo(b,f)(1,4)thiazepine, 11-(4-methyl-1-piperazinyl)-
CAS 1977-09-9C18H19N3S
Clotiapine
CAS 2058-52-8C18H18ClN3S
Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, hydrochloride
CAS 4956-31-4C18H19Cl2N3S
Metiapine
CAS 5800-19-1C19H21N3S
7-Hydroxyquetiapine
CAS 139079-39-3C21H25N3O3S
Quetiapine fumarate
CAS 111974-72-2C46H54N6O8S2
4-(2-Chlorodibenzo(bf)(1,4)thiazepin-11-yl)piperazine
CAS 5747-63-7C17H16ClN3S
![Mono-2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl)piperazinium-1-yl]ethoxy)ethanol trans-butenedioate chemical structure, C25H29N3O6S, CAS 773058-82-5](/s/VRHJBWUIWQOFLF-WLHGVMLRSA-N.svg)
Mono-2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl)piperazinium-1-yl]ethoxy)ethanol trans-butenedioate
CAS 773058-82-5C25H29N3O6S
Isoclothiapine
CAS 5747-55-7C18H18ClN3S
![11-(1-Piperazinyl)-dibenzo[B,F][1,4]thiazepin-7-ol chemical structure, C17H17N3OS, CAS 232597-73-8](/s/CAWOJGJDGLXKTF-UHFFFAOYSA-N.svg)
11-(1-Piperazinyl)-dibenzo[B,F][1,4]thiazepin-7-ol
CAS 232597-73-8C17H17N3OS
7-Hydroxy quetiapine acetate
CAS 329217-62-1C23H27N3O4S
![2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol chemical structure, C19H21N3OS, CAS 329216-67-3](/s/OFLMIXVKBNAUIB-UHFFFAOYSA-N.svg)
2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol
CAS 329216-67-3C19H21N3OS
Norquetiapine
CAS 5747-48-8C17H17N3S
Quetiapine acetate
CAS 844639-07-2C23H27N3O3S
![6-Piperazin-1-ylbenzo[b][1,4]benzothiazepine, hydrochloride chemical structure, C17H18ClN3S, CAS 753475-15-9](/s/MJPARFLICDXWJT-UHFFFAOYSA-N.svg)
6-Piperazin-1-ylbenzo[b][1,4]benzothiazepine, hydrochloride
CAS 753475-15-9C17H18ClN3S
Norquetiapine dihydrochloride
CAS 111974-74-4C17H19Cl2N3S
![4-Dibenzo[b,f][1,4]thiazepin-11-ylpiperazine-1-carboxaldehyde chemical structure, C18H17N3OS, CAS 1011757-97-3](/s/MXFQNZOZYBEIIP-UHFFFAOYSA-N.svg)
4-Dibenzo[b,f][1,4]thiazepin-11-ylpiperazine-1-carboxaldehyde
CAS 1011757-97-3C18H17N3OS
Quetiapine carboxylate impurity
CAS 1011758-00-1C22H25N3O4S
DES(2-hydroxyethoxy)quetiapine
CAS 1011758-03-4C19H21N3S
Quetiapine impurity 3
CAS 1011758-06-7C23H29N3O2S
Quetiapine-D4 hemifumarate
CAS 1031703-35-1C21H25N3O2S
Quetiapine N-oxide
CAS 1076199-40-0C21H25N3O3S
![N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine-d8 chemical structure, C17H17N3S, CAS 1189866-35-0](/s/JLOAJISUHPIQOX-PMCMNDOISA-N.svg)
N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine-d8
CAS 1189866-35-0C17H17N3S
- 7-Hydroxy quetiapine-d81185098-57-0C21H25N3O3S
- 7-Hydroxy-N-des{[2-(2-hydroxy)ethoxy]ethyl} Quetiapine-d8 Dihydrochloride1246819-53-3C17H17N3OS
- Quetiapine D4 fumarate1287376-15-1C25H29N3O6S
- Quetiapine hydroxy impurity-d81246820-78-9C19H21N3OS
- 4-(2-Chloroethyl)-11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine352232-17-8C19H20ClN3S
- 1 suppliersQuetiapine-d8 (fumarate)1185247-12-4C25H29N3O6S
- Quetiapine-d4 fumarate1331636-50-0C25H29N3O6S
- Bis(2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol), bis(but-2-enedioic acid)C50H58N6O12S2
- 2-(2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)ethanol dihydrochloride329218-16-8C23H31Cl2N3O3S
- 2-(2-(2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)ethoxy)ethanol dihydrochloride1825392-15-1C25H35Cl2N3O4S
- 1 suppliers2-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]ethanol1356906-17-6C25H33N3O4S
- Quetiapine hemifumarate ester2209488-73-1C25H27N3O5S
- Quetiapine-D4 hemifumarateC46H54N6O8S2
- K9Wgd34K1A1141717-53-4C21H23N3O3S
- 2-(2-(4-(2-Thia-9-azatricyclo(9.4.0.03,8)pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl)(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl)ethoxy)ethan-1-ol, but-2-enedioic acid1435938-24-1C46H54N6O8S2
- 9-Chloro quetiapine1371638-11-7C21H24ClN3O2S
- 7-Hydroxy-N-des{[2-(2-hydroxy)ethoxy]ethyl} Quetiapine Dihydrochloride1397181-83-7C17H19Cl2N3OS
- Quetiapine fumarate impurity I as fumarate2734403-85-9C23H25N3O5S
- 2-[2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol, (Z)-but-2-enedioic acidC27H33N3O7S
- 2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethanol Fumarate1356906-16-5C27H33N3O7S
- Quetiapine hydroxy impurity dihydrochloride salt329218-14-6C19H23Cl2N3OS
- Quetiapine EP impurity J2250242-46-5C25H34ClN3O4S
- 2-[2-[2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]ethoxy]-ethanol Fumarate2470243-24-2C29H37N3O8S
- Quetiapine D4 hemifumarate1217310-65-0C50H58N6O12S2
Related scaffolds
Same ring framework with different atoms or bond orders
O=C1CCCC2=C1C(c1ccccc1)Nc1ccccc1N256 chemicals
c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O213 chemicals
c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N212 chemicals
c1ccc2c(c1)CC(N1CCNCC1)c1ccccc1S210 chemicals
O=C1CCCC2=C1C(c1cccnc1)Nc1ccccc1N25 chemicals
O=C1CCCC2=C1C(c1ccccn1)Nc1ccccc1N23 chemicals
c1ccc2c(c1)Cc1ccccc1C(N1CCNCC1)=N22 chemicals
C1=C(N2CCNCC2)c2ccccc2Oc2ccccc212 chemicals
O=c1c2ccccc2cc(-c2ccccc2)c2ccccc121 chemical
c1ccc(C2=Nc3ccccc3Oc3ccccc32)cc11 chemical
O=S1c2ccccc2N=C(N2CCNCC2)c2ccccc211 chemical
c1ccc2c(c1)Sc1ccncc1N=C2N1CCNCC11 chemical