CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00186595" in compound.

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CFAM Mol ID CFAMM00186595
Family CFFID291 5-hydroxytryptamine receptor 1A Ligand Du 125530 Family
Superfamily CFSID238 5-hydroxytryptamine receptor 1A Ligand Du 125530 Superfamily
Class CFCID164 Class 1514
External ID DNC000578 External Source TTD
PubChem CID 9848499 Functional Category Investigative Drug
Molecule Name DU 125530
IUPAC Name 2-[4-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
Synonyms DU 125530;SureCN1082516;UNII-ZB05V621UD;DNC000578;PDSP1_000932;PDSP2_000918;DU125530;L001571;1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl)butyl)-, 1,1-dioxide;161611-99-0
InChi InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
Formula C23H26ClN3O5S Molecular Weight 491.99
Cross Link CHEMBL79261

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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