CFam Chemical Families Database
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You are searching for "CFAMM00322256" in compound.

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CFAM Mol ID CFAMM00322256
Family CFFBM1337 Renin inhibitor tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmethyl)-7-hydroxy-10-(morpholin-4-ylmethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSID207 Renin Inhibitor CP-80794 Superfamily
Class CFCID94 Class 1444
External ID CHEMBL2204327 External Source CHEMBL
PubChem CID 10349956 Functional Category Bioactive
Molecule Name (2S)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-N-[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-7-hydroxy-10-(morpholin-4-ylmethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]-3-phenylpropanamide
IUPAC Name (2S)-2-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-N-[(3S,6S,7R,10R)-6-(cyclohexylmethyl)-7-hydroxy-10-(morpholin-4-ylmethyl)-4,8,14-trioxo-1,9-dioxa-5-azacyclotetradec-3-yl]-3-phenylpropanamide
Synonyms
InChi InChI=1S/C39H59N5O8/c45-35-13-7-12-30(24-44-18-20-50-21-19-44)52-39(49)36(46)31(22-27-8-3-1-4-9-27)41-38(48)34(26-51-35)42-37(47)32(23-28-10-5-2-6-11-28)40-33-25-43-16-14-29(33)15-17-43/h2,5-6,10-11,27,29-34,36,40,46H,1,3-4,7-9,12-26H2,(H,41,48)(H,42,47)/t30-,31+,32+,33-,34+,36-/m1/s1
InChiKey KUQRLGWOANPHCW-OUOPBPENSA-N
Formula C39H59N5O8 Molecular Weight 725.91
Cross Link CHEMBL2204327
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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