CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00439256" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00439256
Family CFFBM16755 Renin inhibitor ethyl N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate family
Superfamily CFSAD447 HIV-1 protease Inhibitor Lopinavir Superfamily
Class CFCAD412 Class 412
External ID CHEMBL72629 External Source CHEMBL
PubChem CID 44312554 Functional Category Bioactive
Molecule Name tert-butyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
IUPAC Name tert-butyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
Synonyms CHEBI:216398
InChi InChI=1S/C35H55N5O7/c1-22(2)16-30(41)31(42)27(17-23-10-8-7-9-11-23)38-33(44)29(19-25-20-36-21-37-25)39-32(43)28(40-34(45)47-35(3,4)5)18-24-12-14-26(46-6)15-13-24/h12-15,20-23,25,27-31,41-42H,7-11,16-19H2,1-6H3,(H,38,44)(H,39,43)(H,40,45)/t25?,27?,28?,29?,30-,31+/m0/s1
Formula C35H55N5O7 Molecular Weight 657.84
Cross Link CHEMBL72629

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



27296 visits since 2014 .........


Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.

Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links


Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00439256'),None, txtsearch, CFAMM00439256|