CFam Chemical Families Database
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You are searching for "CFAMM00441798" in compound.

Total 1 results found.

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 CFAMM00441798
Family CFFBM17317 Coagulation factor X inhibitor AGN-PC-077MVW family
Superfamily CFSBM4308 Coagulation factor X and Prothrombin Binder Superfamily 10
Class CFCBM176 Class 3226
External ID CHEMBL456034 External Source CHEMBL
PubChem CID 44581457 Functional Category Bioactive
Molecule Name AGN-PC-077MZT
IUPAC Name 1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
Synonyms SureCN5644507;CHEBI:595812;1-(4-methoxyphenyl)-3-methylsulfonyl-6-[4-[1-[(2-oxopyrrolidin-1-yl)methyl]cyclopropyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
InChi InChI=1S/C28H30N4O5S/c1-37-22-11-9-21(10-12-22)32-25-23(26(29-32)38(2,35)36)13-17-31(27(25)34)20-7-5-19(6-8-20)28(14-15-28)18-30-16-3-4-24(30)33/h5-12H,3-4,13-18H2,1-2H3
InChiKey LETIREDJFXZCNR-UHFFFAOYSA-N
Formula C28H30N4O5S Molecular Weight 534.63
Cross Link CHEMBL456034
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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