CFam Chemical Families Database
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You are searching for "CFAMM00217158" 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 CFAMM00217158
Family CFFID693 Renin Inhibitor 3-phenyl-1,2-propandiol Family
Superfamily CFSID566 Renin and Cytosolic phospholipase A2 Binder Superfamily
Class CFCAD809 Class 809
External ID DNC009771 External Source TTD
PubChem CID 45273020 Functional Category Investigative Drug
Molecule Name trans-(R(S))-2-Hydroxy-1-phenylethyl nitrate
IUPAC Name [(1R)-2-hydroxy-1-phenylethyl] nitrate
Synonyms CHEBI:666790;DNC009771;trans-(R(S))-2-Hydroxy-1-phenylethyl nitrate
InChi InChI=1S/C8H9NO4/c10-6-8(13-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1
InChiKey HJZAIMHRCPGGNJ-QMMMGPOBSA-N
Formula C8H9NO4 Molecular Weight 183.16
Cross Link CHEMBL563619
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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