CFam Chemical Families Database
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You are searching for "CFAMM00389316" in compound.

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CFAM Mol ID CFAMM00389316
Family CFFBM8632 Coagulation factor X and Prothrombin inhibitor 2-carboxyindole 29 family
Superfamily CFSBM1030 Coagulation factor X and C-X-C chemokine receptor type 3 Binder Superfamily
Class CFCID987 Class 2337
External ID CHEMBL69071 External Source CHEMBL
PubChem CID 5329245 Functional Category Bioactive
Molecule Name AC1NS6DH
IUPAC Name (5Z)-4-(3-chloro-4-fluoroanilino)-5-[[5-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one
Synonyms pyrrolo[2,3-d]pyrimidin-6-one deriv. 26q;SureCN6489906;(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[5-(3,5-dimethylpiperazine-1-carbonyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one
InChi InChI=1S/C25H25ClFN7O2/c1-12-6-20(25(36)34-9-13(2)30-14(3)10-34)32-19(12)8-16-21-22(28-11-29-23(21)33-24(16)35)31-15-4-5-18(27)17(26)7-15/h4-8,11,13-14,30,32H,9-10H2,1-3H3,(H2,28,29,31,33,35)/b16-8-
InChiKey WVDAQTVGUQLXLW-PXNMLYILSA-N
Formula C25H25ClFN7O2 Molecular Weight 509.96
Cross Link CHEMBL69071
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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