CFam Chemical Families Database
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You are searching for "CFAMM00448446" in compound.

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CFAM Mol ID CFAMM00448446
Family CFFBM18631 Beta-2 adrenergic receptor and Beta-1 adrenergic receptor ligand AGN-PC-07AIJL family
Superfamily CFSBM5850 Beta-1 adrenergic receptor and Beta-2 adrenergic receptor Binder Superfamily 7
Class CFCID132 Class 1482
External ID CHEMBL587197 External Source CHEMBL
PubChem CID 45484584 Functional Category Bioactive
Molecule Name AGN-PC-07CPDM
IUPAC Name [2-[[4-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]anilino]-4-oxobutyl]amino]-2-oxoethyl]-trimethylazanium;chloride
Synonyms CHEBI:676107;[2-[[4-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]anilino]-4-oxobutyl]amino]-2-oxoethyl]-trimethylazanium;chloride
InChi InChI=1S/C29H41N5O6.ClH/c1-29(2,31-16-23(36)21-12-13-22(35)27-28(21)40-18-26(39)33-27)15-19-8-10-20(11-9-19)32-24(37)7-6-14-30-25(38)17-34(3,4)5;/h8-13,23,31,36H,6-7,14-18H2,1-5H3,(H3-,30,32,33,35,37,38,39);1H
InChiKey JPJAGNMTMUEYOK-UHFFFAOYSA-N
Formula C29H42ClN5O6 Molecular Weight 592.13
Cross Link CHEMBL587197
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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