CFam Chemical Families Database
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You are searching for "CFAMM00306700" in compound.

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CFAM Mol ID CFAMM00306700
Family CFFBM70 Renin inhibitor (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-yl-N-(2-pyridin-2-ylethyl)hexanamide family
Superfamily CFSAD446 HIV-1 protease Inhibitor Atazanavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL49150 External Source CHEMBL
PubChem CID 44293992 Functional Category Bioactive
Molecule Name (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-yl-N-(2-pyridin-2-ylethyl)hexanamide
IUPAC Name (2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-yl-N-(2-pyridin-2-ylethyl)hexanamide
Synonyms CHEBI:174178
InChi InChI=1S/C44H68N4O7/c1-5-6-20-40(55-41(29-34-17-11-8-12-18-34)44(52)48-26-22-36(23-27-48)54-31-53-4)43(51)47-38(28-33-15-9-7-10-16-33)39(49)30-37(32(2)3)42(50)46-25-21-35-19-13-14-24-45-35/h8,11-14,17-19,24,32-33,36-41,49H,5-7,9-10,15-16,20-23,25-31H2,1-4H3,(H,46,50)(H,47,51)/t37-,38-,39-,40-,41-/m0/s1
InChiKey DELYTNJVWONZIF-LSLOANPCSA-N
Formula C44H68N4O7 Molecular Weight 765.03
Cross Link CHEMBL49150
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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