CFam Chemical Families Database
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You are searching for "CFAMM00328562" in compound.

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CFAM Mol ID CFAMM00328562
Family CFFBM1886 Histamine H3 receptor ligand SureCN4025673 family
Superfamily CFSBM1078 Histamine H3 receptor Binder Superfamily 2
Class CFCBM32 Class 3082
External ID CHEMBL1222436 External Source CHEMBL
PubChem CID 44160010 Functional Category Bioactive
Molecule Name AGN-PC-071UYN
IUPAC Name 1-[(1-benzyltetrazol-5-yl)-(4-pyrazol-1-ylphenyl)methyl]-4-cyclobutyl-1,4-diazepane
Synonyms SureCN4021486;CHEBI:788872;1-[(1-benzyltetrazol-5-yl)-(4-pyrazol-1-ylphenyl)methyl]-4-cyclobutyl-1,4-diazepane
InChi InChI=1S/C27H32N8/c1-2-7-22(8-3-1)21-35-27(29-30-31-35)26(23-11-13-25(14-12-23)34-18-5-15-28-34)33-17-6-16-32(19-20-33)24-9-4-10-24/h1-3,5,7-8,11-15,18,24,26H,4,6,9-10,16-17,19-21H2
InChiKey PNRDAVMZHHAPMX-UHFFFAOYSA-N
Formula C27H32N8 Molecular Weight 468.60
Cross Link CHEMBL1222436
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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