CFam Chemical Families Database
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You are searching for "CFAMM00438991" in compound.

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CFAM Mol ID CFAMM00438991
Family CFFBM16663 Urotensin-2 receptor ligand SureCN4431593 family
Superfamily CFSBM6139 Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor Binder Superfamily 7
Class CFCID108 Class 1458
External ID CHEMBL239250 External Source CHEMBL
PubChem CID 44435044 Functional Category Bioactive
Molecule Name SureCN4430266
IUPAC Name N-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
Synonyms AGN-PC-076C0A;CHEBI:501368;N-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-chloro-2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]benzamide
InChi InChI=1S/C35H41ClN4O5S/c36-29-10-11-30(28-14-16-38(17-15-28)20-21-40-32-8-4-5-9-33(32)45-24-34(40)41)31(22-29)35(42)37-23-26-12-18-39(19-13-26)46(43,44)25-27-6-2-1-3-7-27/h1-11,22,26,28H,12-21,23-25H2,(H,37,42)
InChiKey XFQMOGCLSPSWBG-UHFFFAOYSA-N
Formula C35H41ClN4O5S Molecular Weight 665.24
Cross Link CHEMBL239250
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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