CFam Chemical Families Database
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You are searching for "CFAMM00018054" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00018054
Family CFFAD92 Histamine H1 receptor ligand tricyclic antidepressant Loratadine Family
Superfamily CFSAD88 Histamine H1 receptor ligand tricyclic antidepressant Superfamily
Class CFCAD88 Class 88
External ID CHEMBL144337 External Source CHEMBL
PubChem CID 10721277 Functional Category Bioactive
Molecule Name 1-[4-[(11R)-3-bromo-8-chloro-10-fluoro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperazin-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)ethanone
IUPAC Name 1-[4-[(11R)-3-bromo-8-chloro-10-fluoro-6,11-dihydro-5H-benzo[1,2]cyclohepta[2,4-b]pyridin-11-yl]piperazin-1-yl]-2-(1-oxidopyridin-1-ium-4-yl)ethanone
Synonyms Trihalobenzocycloheptapyridine Tricyclic Compound 37
InChi InChI=1S/C25H23BrClFN4O2/c26-19-12-18-2-1-17-13-20(27)14-21(28)23(17)25(24(18)29-15-19)31-9-7-30(8-10-31)22(33)11-16-3-5-32(34)6-4-16/h3-6,12-15,25H,1-2,7-11H2/t25-/m1/s1
InChiKey JOCGRWHRWNIISC-RUZDIDTESA-N
Formula C25H23BrClFN4O2 Molecular Weight 545.83
Cross Link CHEMBL144337
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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