CFam Chemical Families Database
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You are searching for "CFAMM00408846" in compound.

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CFAM Mol ID CFAMM00408846
Family CFFBM11381 Coagulation factor X inhibitor 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-(trifluoromethyl)-4H-pyrazolo[4,3-c]pyridazin-7-one family
Superfamily CFSID1554 Coagulation factor X and Prothrombin Inhibitor BMS-740808 Superfamily
Class CFCID995 Class 2345
External ID CHEMBL387481 External Source CHEMBL
PubChem CID 23646319 Functional Category Bioactive
Molecule Name 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-(trifluoromethyl)-4H-pyrazolo[4,3-b]pyridin-7-one
IUPAC Name 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-(trifluoromethyl)-4H-pyrazolo[4,3-b]pyridin-7-one
Synonyms pyrazolo[4,3-b]pyridinone 26d
InChi InChI=1S/C29H23F3N6O2/c1-37(2)15-18-5-3-4-6-20(18)16-7-9-17(10-8-16)22-14-34-24-25(26(22)39)38(35-27(24)29(30,31)32)19-11-12-23-21(13-19)28(33)36-40-23/h3-14H,15H2,1-2H3,(H2,33,36)(H,34,39)
InChiKey MHUDSSWPYCLMLR-UHFFFAOYSA-N
Formula C29H23F3N6O2 Molecular Weight 544.53
Cross Link CHEMBL387481
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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National University of Singapore, Singapore


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