CFam Chemical Families Database
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You are searching for "CFAMM00214989" 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 CFAMM00214989
Family CFFID597 Histamine H3 receptor Ligand A-331440 Family
Superfamily CFSID490 Histamine H3 receptor Ligand A-331440 Superfamily
Class CFCAD280 Class 280
External ID DNC002333 External Source TTD
PubChem CID 9884746 Functional Category Investigative Drug
Molecule Name A-331440
IUPAC Name 4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]benzonitrile
Synonyms A-331440;SureCN5216650;CHEMBL319000;GTPL4023;CHEBI:271310;4-[4-[3-[(3R)-3-dimethylaminopyrrolidin-1-yl]propoxy]phenyl]benzonitrile;KB-74351;A331440;392338-13-5
InChi InChI=1S/C22H27N3O/c1-24(2)21-12-14-25(17-21)13-3-15-26-22-10-8-20(9-11-22)19-6-4-18(16-23)5-7-19/h4-11,21H,3,12-15,17H2,1-2H3/t21-/m1/s1
InChiKey FXIPXWLVYIHFEP-OAQYLSRUSA-N
Formula C22H27N3O Molecular Weight 349.47
Cross Link CHEMBL319000
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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