CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00139875" in compound.

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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 CFAMM00139875
Family CFFCD157 Calcitonin gene-related peptide type 1 receptor Ligand Telcagepant Family
Superfamily CFSCD143 Calcitonin gene-related peptide type 1 receptor Ligand Telcagepant Superfamily
Class CFCCD117 Class 930
External ID CHEMBL519773 External Source CHEMBL
PubChem CID 44571852 Functional Category Bioactive
Molecule Name (3R)-3-amino-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
IUPAC Name (3R)-3-amino-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;hydrochloride
Synonyms CHEBI:575641
InChi InChI=1S/C19H22F3N5O.ClH/c20-15-12-17(22)16(21)10-13(15)9-14(23)11-18(28)26-5-2-6-27(8-7-26)19-24-3-1-4-25-19;/h1,3-4,10,12,14H,2,5-9,11,23H2;1H/t14-;/m1./s1
InChiKey LIUYDMCRBOVIMM-PFEQFJNWSA-N
Formula C19H23ClF3N5O Molecular Weight 429.87
Cross Link CHEMBL519773
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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