CFam Chemical Families Database
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You are searching for "CFAMM00167109" in compound.

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CFAM Mol ID CFAMM00167109
Family CFFCD641 Beta-2 adrenergic receptor Ligand Olodaterol Family
Superfamily CFSCD574 Beta-2 adrenergic receptor Ligand Olodaterol Superfamily
Class CFCCD406 Class 1219
External ID CHEMBL565747 External Source CHEMBL
PubChem CID 45101521 Functional Category Bioactive
Molecule Name AGN-PC-07AIJM
IUPAC Name 2,5-diamino-N-[4-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]anilino]-4-oxobutyl]pentanamide
Synonyms CHEBI:676077;2,5-diamino-N-[4-[4-[2-[[2-hydroxy-2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethyl]amino]-2-methylpropyl]anilino]-4-oxobutyl]pentanamide
InChi InChI=1S/C29H42N6O6/c1-29(2,33-16-23(37)20-11-12-22(36)26-27(20)41-17-25(39)35-26)15-18-7-9-19(10-8-18)34-24(38)6-4-14-32-28(40)21(31)5-3-13-30/h7-12,21,23,33,36-37H,3-6,13-17,30-31H2,1-2H3,(H,32,40)(H,34,38)(H,35,39)
InChiKey ZRGLSSFFNJDYDK-UHFFFAOYSA-N
Formula C29H42N6O6 Molecular Weight 570.68
Cross Link CHEMBL565747
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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