CFam Chemical Families Database
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You are searching for "CFAMM00413765" in compound.

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CFAM Mol ID CFAMM00413765
Family CFFBM12077 Vascular endothelial growth factor receptor 2 and Serine/threonine-protein kinase B-raf ligand N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide family
Superfamily CFSCD397 Corticotropin-releasing factor receptor 1 Ligand GW876008 Superfamily
Class CFCCD257 Class 1070
External ID CHEMBL438696 External Source CHEMBL
PubChem CID 11678254 Functional Category Bioactive
Molecule Name AGN-PC-00DYPI
IUPAC Name N-[[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
Synonyms SureCN4822269;CHEBI:524305;N-[[4-[6-[3-(dimethylamino)propoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxy-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
InChi InChI=1S/C27H28F2N6O4/c1-17-23(38-12-4-11-34(2)3)15-35-25(17)26(30-16-31-35)39-22-10-9-20(14-21(22)29)32-27(37)33-24(36)13-18-5-7-19(28)8-6-18/h5-10,14-16H,4,11-13H2,1-3H3,(H2,32,33,36,37)
InChiKey LTJJQWUFSHDXIN-UHFFFAOYSA-N
Formula C27H28F2N6O4 Molecular Weight 538.55
Cross Link CHEMBL438696
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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