CFam Chemical Families Database
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You are searching for "CFAMM00142075" 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 CFAMM00142075
Family CFFCD195 Multidrug resistance protein Inhibitor Tariquidar Family
Superfamily CFSCD178 Multidrug resistance protein Inhibitor Tariquidar Superfamily
Class CFCAD82 Class 82
External ID CHEMBL501349 External Source CHEMBL
PubChem CID 25223001 Functional Category Bioactive
Molecule Name AGN-PC-050JYH
IUPAC Name methyl 4-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-(pyrazine-2-carbonylamino)benzoate
Synonyms CHEBI:555163;methyl 4-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-(pyrazine-2-carbonylamino)benzoate
InChi InChI=1S/C33H33N5O6/c1-42-29-17-22-11-15-38(20-24(22)18-30(29)43-2)14-10-21-4-7-25(8-5-21)36-31(39)23-6-9-26(33(41)44-3)27(16-23)37-32(40)28-19-34-12-13-35-28/h4-9,12-13,16-19H,10-11,14-15,20H2,1-3H3,(H,36,39)(H,37,40)
InChiKey XFRXCSTXTDDQQT-UHFFFAOYSA-N
Formula C33H33N5O6 Molecular Weight 595.65
Cross Link CHEMBL501349
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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