CFam Chemical Families Database
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You are searching for "CFAMM00403410" 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.

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CFAM Mol ID CFAMM00403410
Family CFFBM10635 Renin inhibitor 5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-[4-[2-(3-methoxypropoxy)phenyl]-2,2-dimethyl-5-oxopiperazin-1-yl]-2-propan-2-ylhexanamide;(E)-but-2-enedioic acid family
Superfamily CFSAD561 Beta-1 adrenergic receptor Ligand Practolol Superfamily
Class CFCAD516 Class 516
External ID CHEMBL2046465 External Source CHEMBL
PubChem CID 70696675 Functional Category Bioactive
Molecule Name (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-[4-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-5-oxopiperazin-1-yl]-2-propan-2-ylhexanamide;(E)-but-2-enedioic acid
IUPAC Name (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-6-[4-[2-(methoxymethoxy)phenyl]-2,2-dimethyl-5-oxopiperazin-1-yl]-2-propan-2-ylhexanamide;(E)-but-2-enedioic acid
Synonyms
InChi InChI=1S/C28H47N5O6.C4H4O4/c1-18(2)19(25(36)31-15-27(3,4)26(30)37)12-22(34)20(29)13-32-14-24(35)33(16-28(32,5)6)21-10-8-9-11-23(21)39-17-38-7;5-3(6)1-2-4(7)8/h8-11,18-20,22,34H,12-17,29H2,1-7H3,(H2,30,37)(H,31,36);1-2H,(H,5,6)(H,7,8)/b;2-1+/t19-,20-,22-;/m0./s1
InChiKey UTASKTKHSRWXPN-QWGISHHCSA-N
Formula C32H51N5O10 Molecular Weight 665.77
Cross Link CHEMBL2046465
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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