CFam Chemical Families Database
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You are searching for "CFAMM00279003" in compound.

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CFAM Mol ID CFAMM00279003
Family CFFID2886 Renin Inhibitor Ro-66-1168 Family
Superfamily CFSID2043 Renin Inhibitor Ro-66-1168 Superfamily
Class CFCCD20 Class 833
External ID DNC009741 External Source TTD
PubChem CID 9851682 Functional Category Investigative Drug
Molecule Name Ro-66-1168
IUPAC Name N-[2-[7-[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidin-3-yl]oxymethyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl]acetamide
Synonyms SureCN5556763;CHEMBL1276275;CHEBI:812240;DNC011266;KB-74440;304025-53-4;Acetamide,N-[2-[3,4-dihydro-7-[[[(3R,4R)-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-piperidinyl]oxy]methyl]-1(2H)-quinolinyl]ethyl]-
InChi InChI=1S/C36H47N3O5/c1-27(40)38-18-20-39-19-5-8-30-11-10-28(23-34(30)39)25-44-36-24-37-17-16-33(36)29-12-14-32(15-13-29)43-22-6-21-42-26-31-7-3-4-9-35(31)41-2/h3-4,7,9-15,23,33,36-37H,5-6,8,16-22,24-26H2,1-2H3,(H,38,40)/t33-,36+/m1/s1
InChiKey YKAHCPSTICMMFK-ILFWFZRHSA-N
Formula C36H47N3O5 Molecular Weight 601.78
Cross Link CHEMBL1276275
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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