CFam Chemical Families Database
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You are searching for "CFAMM00287636" in compound.

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CFAM Mol ID CFAMM00287636
Family CFFID3273 Oxytocin receptor and Vasopressin V1a receptor Ligand L-372662 Family
Superfamily CFSID1030 Oxytocin receptor and Vasopressin V1a receptor Binder Superfamily
Class CFCID703 Class 2053
External ID CHEMBL69202 External Source CHEMBL
PubChem CID 10603831 Functional Category Bioactive
Molecule Name 1-[1-[2-methoxy-4-[1-[(1-oxido-2-propylpyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
IUPAC Name 1-[1-[2-methoxy-4-[1-[(1-oxido-2-propylpyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Synonyms CHEBI:208056
InChi InChI=1S/C35H42N4O6/c1-3-7-31-25(9-6-17-38(31)42)23-36-18-15-28(16-19-36)45-29-11-12-30(33(22-29)43-2)34(40)37-20-13-27(14-21-37)39-32-10-5-4-8-26(32)24-44-35(39)41/h4-6,8-12,17,22,27-28H,3,7,13-16,18-21,23-24H2,1-2H3
InChiKey ZFXYABBFSXSNNG-UHFFFAOYSA-N
Formula C35H42N4O6 Molecular Weight 614.73
Cross Link CHEMBL69202
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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