CFam Chemical Families Database
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You are searching for "CFAMM00306588" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00306588
Family CFFBM63 Reverse transcriptase/RNaseH inhibitor AC1LAJTF family
Superfamily CFSBM45 Reverse transcriptase/RNaseH and cAMP-specific 3',5'-cyclic phosphodiesterase 4B Binder Superfamily
Class CFCBM16 Class 3066
External ID CHEMBL351728 External Source CHEMBL
PubChem CID 515049 Functional Category Bioactive
Molecule Name AC1LAJTU
IUPAC Name 2-chloro-8-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-11-ethyl-4-methyl-5H-dipyrido[2,3-b:2',3'-f][1,4]diazepin-6-one
Synonyms 8-heteroarylthiomethyldipyridodiazepinone deriv. 14;2-Chloro-8-{[(4,6-dimethylpyrimidin-2-yl)thio]methyl}-11-ethyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one
InChi InChI=1S/C21H21ClN6OS/c1-5-28-18-15(20(29)27-17-11(2)6-16(22)26-19(17)28)8-14(9-23-18)10-30-21-24-12(3)7-13(4)25-21/h6-9H,5,10H2,1-4H3,(H,27,29)
InChiKey PKICVKLKMOBLLB-UHFFFAOYSA-N
Formula C21H21ClN6OS Molecular Weight 440.95
Cross Link CHEMBL351728
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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