CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00212347" 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 CFAMM00212347
Family CFFID498 Vasopeptidase Inhibitor Sampatrilat Family
Superfamily CFSAD18 Oxytocin receptor and Vasopressin V2 receptor Binder Superfamily
Class CFCAD18 Class 18
External ID CHEMBL270576 External Source CHEMBL
PubChem CID 44454700 Functional Category Bioactive
Molecule Name (2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-(2-methylpropyl)carbamoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name (2S)-2-[[[(2S)-2-carboxy-2-hydroxyethyl]-(2-methylpropyl)carbamoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Synonyms SureCN8033709
InChi InChI=1S/C17H24N2O7/c1-10(2)8-19(9-14(21)16(24)25)17(26)18-13(15(22)23)7-11-3-5-12(20)6-4-11/h3-6,10,13-14,20-21H,7-9H2,1-2H3,(H,18,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1
InChiKey AEJMWTIBRVQCOF-KBPBESRZSA-N
Formula C17H24N2O7 Molecular Weight 368.38
Cross Link CHEMBL270576
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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