CFam Chemical Families Database
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You are searching for "CFAMM00327169" in compound.

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CFAM Mol ID CFAMM00327169
Family CFFBM1755 Aurora kinase A inhibitor SureCN761545 family
Superfamily CFSID2335 Reverse transcriptase Inhibitor Atevirdine Superfamily
Class CFCAD227 Class 227
External ID CHEMBL1213108 External Source CHEMBL
PubChem CID 23729140 Functional Category Bioactive
Molecule Name SureCN761545
IUPAC Name 2-[[4-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
Synonyms AGN-PC-048OEI;DEL-A, 6;2-(4-(Butyl(methyl)amino)-6-(2-methoxyphenethylamino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide;2-[[4-[butyl(methyl)amino]-6-[2-(2-methoxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
InChi InChI=1S/C27H35N9O2/c1-4-5-15-36(2)27-34-25(30-14-12-18-9-6-7-11-22(18)38-3)33-26(35-27)32-21(23(28)37)16-19-17-31-24-20(19)10-8-13-29-24/h6-11,13,17,21H,4-5,12,14-16H2,1-3H3,(H2,28,37)(H,29,31)(H2,30,32,33,34,35)
InChiKey AXSIEBLMJCMGJS-UHFFFAOYSA-N
Formula C27H35N9O2 Molecular Weight 517.63
Cross Link CHEMBL1213108
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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National University of Singapore, Singapore


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