CFam Chemical Families Database
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You are searching for "CFAMM00242314" 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 CFAMM00242314
Family CFFID1545 Histamine H3 receptor Ligand A-349821 Family
Superfamily CFSID1202 Caspase-3 and Histamine H3 receptor Binder Superfamily
Class CFCCD80 Class 893
External ID CHEMBL1940292 External Source CHEMBL
PubChem CID 57403421 Functional Category Bioactive
Molecule Name N-(cyclohexylmethyl)-4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]benzamide
IUPAC Name N-(cyclohexylmethyl)-4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]benzamide
Synonyms
InChi InChI=1S/C29H34N2O3/c32-28(30-20-23-4-2-1-3-5-23)24-8-12-27(13-9-24)34-26-10-6-22(7-11-26)14-17-29(33)21-31-18-15-25(29)16-19-31/h6-13,23,25,33H,1-5,15-16,18-21H2,(H,30,32)/t29-/m0/s1
InChiKey PLYGOFXFDNGSQZ-LJAQVGFWSA-N
Formula C29H34N2O3 Molecular Weight 458.59
Cross Link CHEMBL1940292
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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