CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00234344" 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 CFAMM00234344
Family CFFID1286 Oxytocin receptor and Vasopressin V1a receptor Ligand L-371257 Family
Superfamily CFSID1030 Oxytocin receptor and Vasopressin V1a receptor Binder Superfamily
Class CFCID703 Class 2053
External ID CHEMBL2017867 External Source CHEMBL
PubChem CID 70685417 Functional Category Bioactive
Molecule Name 1-[1-[2-[2-[(E)-3-iodoprop-2-enoxy]-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
IUPAC Name 1-[1-[2-[2-[(E)-3-iodoprop-2-enoxy]-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]acetyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
Synonyms
InChi InChI=1S/C31H38IN3O6S/c1-42(38,39)34-18-13-26(14-19-34)41-27-9-7-24(29(22-27)40-20-4-15-32)21-31(37)33-16-11-25(12-17-33)35-28-6-3-2-5-23(28)8-10-30(35)36/h2-7,9,15,22,25-26H,8,10-14,16-21H2,1H3/b15-4+
InChiKey ZJWAEMNLDJQLSS-SYZQJQIISA-N
Formula C31H38IN3O6S Molecular Weight 707.62
Cross Link CHEMBL2017867
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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