CFam Chemical Families Database
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You are searching for "CFAMM00244558" 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 CFAMM00244558
Family CFFID1599 Kappa-type opioid receptor Ligand ICI-204448 Family
Superfamily CFSID1249 Kappa-type opioid receptor Ligand ICI-204448 Superfamily
Class CFCID825 Class 2175
External ID CHEMBL1689129 External Source CHEMBL
PubChem CID 11554216 Functional Category Bioactive
Molecule Name SureCN1714390
IUPAC Name 2-[4-chloro-2-[[(3S)-4-[2-(2-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
Synonyms CHEBI:1177541
InChi InChI=1S/C22H24Cl2N2O4/c1-15-12-25(13-17-10-18(23)6-7-20(17)30-14-22(28)29)8-9-26(15)21(27)11-16-4-2-3-5-19(16)24/h2-7,10,15H,8-9,11-14H2,1H3,(H,28,29)/t15-/m0/s1
InChiKey KVMMUHZNDVGFAI-HNNXBMFYSA-N
Formula C22H24Cl2N2O4 Molecular Weight 451.34
Cross Link CHEMBL1689129
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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