CFam Chemical Families Database
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You are searching for "CFAMM00331417" in compound.

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CFAM Mol ID CFAMM00331417
Family CFFBM2211 Oxytocin receptor and Vasopressin V1a receptor ligand N-(4-chlorophenyl)-4-ethoxy-N-[2-oxo-2-[2-(2-oxoindol-3-yl)hydrazinyl]ethyl]benzenesulfonamide family
Superfamily CFSBM1236 Oxytocin receptor and Vasopressin V1a receptor Binder Superfamily 5
Class CFCID1516 Class 2866
External ID CHEMBL2113189 External Source CHEMBL
PubChem CID 11505842 Functional Category Bioactive
Molecule Name 2-(4-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]sulfonylanilino)-N-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)amino]acetamide
IUPAC Name 2-(4-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]sulfonylanilino)-N-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)amino]acetamide
Synonyms CHEBI:432497
InChi InChI=1S/C28H28ClN5O6S/c1-33(2)16-5-17-40-21-12-14-22(15-13-21)41(38,39)34(20-10-8-19(29)9-11-20)18-25(35)31-32-26-23-6-3-4-7-24(23)27(36)30-28(26)37/h3-4,6-15H,5,16-18H2,1-2H3,(H,31,35)(H,30,36,37)/b32-26-
InChiKey SBYOJGQINPGOFZ-FSRJSHLRSA-N
Formula C28H28ClN5O6S Molecular Weight 598.07
Cross Link CHEMBL2113189
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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