CFam Chemical Families Database
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You are searching for "CFAMM00045727" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00045727
Family CFFAD270 Histamine H1 receptor ligand tricyclic antidepressant Desloratadine Family
Superfamily CFSAD88 Histamine H1 receptor ligand tricyclic antidepressant Superfamily
Class CFCAD88 Class 88
External ID CHEMBL157570 External Source CHEMBL
PubChem CID 44370762 Functional Category Bioactive
Molecule Name 4-(3-bromo-8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)-N-cyano-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
IUPAC Name 4-(3-bromo-8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)-N-cyano-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
Synonyms AGN-PC-075U96;CHEBI:359889;4-(3-bromo-8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ylidene)-N-cyano-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
InChi InChI=1S/C27H24BrClN6/c28-22-12-21-4-3-20-13-23(29)5-6-24(20)25(26(21)32-16-22)19-7-10-35(11-8-19)27(34-17-30)33-15-18-2-1-9-31-14-18/h1-2,5-6,9,12-14,16H,3-4,7-8,10-11,15H2,(H,33,34)
InChiKey MSYWKAUBOIFIPF-UHFFFAOYSA-N
Formula C27H24BrClN6 Molecular Weight 547.88
Cross Link CHEMBL157570
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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