CFam Chemical Families Database
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You are searching for "CFAMM00446409" in compound.

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CFAM Mol ID CFAMM00446409
Family CFFBM18303 Serine/threonine-protein kinase Chk1 inhibitor 9-(1-methylpyrrolo[2,3-c]pyridin-3-yl)-3-[2-(4-morpholin-4-ylphenoxy)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one family
Superfamily CFSCD247 Calcium-activated potassium channel subunit alpha-1 Ligand AVE0118 Superfamily
Class CFCAD656 Class 656
External ID CHEMBL538671 External Source CHEMBL
PubChem CID 45270364 Functional Category Bioactive
Molecule Name 9-(1-methylpyrrolo[2,3-c]pyridin-3-yl)-3-[2-(4-morpholin-4-ylphenoxy)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
IUPAC Name 9-(1-methylpyrrolo[2,3-c]pyridin-3-yl)-3-[2-(4-morpholin-4-ylphenoxy)ethyl]-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
Synonyms SureCN4856766
InChi InChI=1S/C33H31N5O3/c1-37-21-28(26-10-12-34-20-32(26)37)23-3-8-27-30(19-23)35-29-9-2-22(18-31(29)36-33(27)39)11-15-41-25-6-4-24(5-7-25)38-13-16-40-17-14-38/h2-10,12,18-21,35H,11,13-17H2,1H3,(H,36,39)
InChiKey XOGDMPWCKAPBRB-UHFFFAOYSA-N
Formula C33H31N5O3 Molecular Weight 545.63
Cross Link CHEMBL538671
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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