CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00242388" in compound.

Total 1 results found.

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 CFAMM00242388
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 CHEMBL1940313 External Source CHEMBL
PubChem CID 57403424 Functional Category Bioactive
Molecule Name N-(1-cyclopropylpiperidin-4-yl)-4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]benzamide
IUPAC Name N-(1-cyclopropylpiperidin-4-yl)-4-[4-[2-[(3S)-3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl]ethynyl]phenoxy]benzamide
Synonyms
InChi InChI=1S/C30H35N3O3/c34-29(31-25-14-19-33(20-15-25)26-5-6-26)23-3-9-28(10-4-23)36-27-7-1-22(2-8-27)11-16-30(35)21-32-17-12-24(30)13-18-32/h1-4,7-10,24-26,35H,5-6,12-15,17-21H2,(H,31,34)/t30-/m0/s1
InChiKey BVTIVQKMMMOOTF-PMERELPUSA-N
Formula C30H35N3O3 Molecular Weight 485.62
Cross Link CHEMBL1940313
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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