CFam Chemical Families Database
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You are searching for "CFAMM00469828" in compound.

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CFAM Mol ID CFAMM00469828
Family CFFBM24413 Serine/threonine-protein kinase Chk2 inhibitor (6E)-4-fluoro-6-[4-[[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]amino]-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one family
Superfamily CFSBM942 cGMP-inhibited 3',5'-cyclic phosphodiesterase B and cGMP-inhibited 3',5'-cyclic phosphodiesterase A Binder Superfamily
Class CFCCD163 Class 976
External ID CHEMBL1800463 External Source CHEMBL
PubChem CID 56662885 Functional Category Bioactive
Molecule Name (6Z)-6-[2-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-ylidene]-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]cyclohexa-2,4-dien-1-one
IUPAC Name (6Z)-6-[2-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-ylidene]-4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]cyclohexa-2,4-dien-1-one
Synonyms
InChi InChI=1S/C20H28N6O4/c21-20-23-15(10-19(24-20)22-3-4-25-5-7-30-8-6-25)14-9-13(1-2-16(14)27)26-11-17(28)18(29)12-26/h1-2,9-10,17-18,27-29H,3-8,11-12H2,(H3,21,22,23,24)/t17-,18-/m0/s1
InChiKey JZXFOFIIRIBORV-ROUUACIJSA-N
Formula C20H28N6O4 Molecular Weight 416.47
Cross Link CHEMBL1800463
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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