CFam Chemical Families Database
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You are searching for "CFAMM00403353" in compound.

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CFAM Mol ID CFAMM00403353
Family CFFBM10627 Serine/threonine-protein kinase Chk1 inhibitor SureCN6387344 family
Superfamily CFSBM4198 Thymidylate synthase and DNA polymerase beta Binder Superfamily
Class CFCCD118 Class 931
External ID CHEMBL1160877 External Source CHEMBL
PubChem CID 46905385 Functional Category Bioactive
Molecule Name 2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5H-benzo[c][1,5]naphthyridin-6-one;2,2,2-trifluoroacetic acid
IUPAC Name 2-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5H-benzo[c][1,5]naphthyridin-6-one;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C17H16N4O.C2HF3O2/c22-17-13-4-2-1-3-12(13)16-14(19-17)5-6-15(20-16)21-9-10-7-11(21)8-18-10;3-2(4,5)1(6)7/h1-6,10-11,18H,7-9H2,(H,19,22);(H,6,7)/t10-,11-;/m1./s1
InChiKey PYRBVGOMBOXOAR-NDXYWBNTSA-N
Formula C19H17F3N4O3 Molecular Weight 406.36
Cross Link CHEMBL1160877
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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