CFam Chemical Families Database
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You are searching for "CFAMM00426350" in compound.

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CFAM Mol ID CFAMM00426350
Family CFFBM14121 Serine/threonine-protein kinase Chk1 inhibitor 2,3-dimethoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one family
Superfamily CFSBM5035 Serine/threonine-protein kinase Chk1 and Cyclin-dependent kinase 1 Binder Superfamily
Class CFCID233 Class 1583
External ID CHEMBL272347 External Source CHEMBL
PubChem CID 44453591 Functional Category Bioactive
Molecule Name 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(oxan-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
IUPAC Name 3-methoxy-9-(3-methoxy-4-nitrophenyl)-2-(oxan-2-ylmethoxy)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
Synonyms SureCN4859749
InChi InChI=1S/C27H27N3O7/c1-34-24-12-17(7-9-23(24)30(32)33)16-6-8-19-20(11-16)28-21-14-26(37-15-18-5-3-4-10-36-18)25(35-2)13-22(21)29-27(19)31/h6-9,11-14,18,28H,3-5,10,15H2,1-2H3,(H,29,31)
InChiKey AYTPWIWTAIZNIQ-UHFFFAOYSA-N
Formula C27H27N3O7 Molecular Weight 505.52
Cross Link CHEMBL272347
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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