CFam Chemical Families Database
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You are searching for "CFAMM00527963" in compound.

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CFAM Mol ID CFAMM00527963
Family CFFBM46489 Neuraminidase inhibitor AC1NQT84 family
Superfamily CFSBM2287 Neprilysin and Neuraminidase Binder Superfamily
Class CFCBM346 Class 3396
External ID CHEMBL56700 External Source CHEMBL
PubChem CID 5278604 Functional Category Bioactive
Molecule Name AC1NQT94
IUPAC Name (3R,4S)-3-[1-acetamido-2-[benzyl(ethyl)amino]-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
Synonyms Cyclopentane Amide deriv. 15j;(3R,4S)-3-[1-acetamido-2-[benzyl(ethyl)amino]-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid;3-[Acetylamino-(benzyl-ethyl-carbamoyl)-methyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
InChi InChI=1S/C20H29N5O4/c1-3-25(11-13-7-5-4-6-8-13)18(27)17(23-12(2)26)15-9-14(19(28)29)10-16(15)24-20(21)22/h4-8,14-17H,3,9-11H2,1-2H3,(H,23,26)(H,28,29)(H4,21,22,24)/t14?,15-,16-,17?/m0/s1
InChiKey NXFYJBBPKMHISJ-YZUHTNEWSA-N
Formula C20H29N5O4 Molecular Weight 403.48
Cross Link CHEMBL56700
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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