CFam Chemical Families Database
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You are searching for "CFAMM00265939" in compound.

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CFAM Mol ID CFAMM00265939
Family CFFID2340 Beta-secretase 1 Inhibitor KMI-538 Family
Superfamily CFSAD272 Penicillin binding protein Inhibitor Ertapenem Superfamily
Class CFCAD257 Class 257
External ID CHEMBL554920 External Source CHEMBL
PubChem CID 45267004 Functional Category Bioactive
Molecule Name 2-[[4-[2-acetamido-3-[[5-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-5-oxopentyl]amino]-3-oxopropyl]naphthalen-1-yl]-oxaloamino]benzoic acid
IUPAC Name 2-[[4-[2-acetamido-3-[[5-[[(1S,2S)-1-carboxy-2-methylbutyl]amino]-5-oxopentyl]amino]-3-oxopropyl]naphthalen-1-yl]-oxaloamino]benzoic acid
Synonyms
InChi InChI=1S/C35H40N4O10/c1-4-20(2)30(34(46)47)38-29(41)15-9-10-18-36-31(42)26(37-21(3)40)19-22-16-17-28(24-12-6-5-11-23(22)24)39(32(43)35(48)49)27-14-8-7-13-25(27)33(44)45/h5-8,11-14,16-17,20,26,30H,4,9-10,15,18-19H2,1-3H3,(H,36,42)(H,37,40)(H,38,41)(H,44,45)(H,46,47)(H,48,49)/t20-,26?,30-/m0/s1
InChiKey SXNOKYNIIHGUGV-KXYCXDMKSA-N
Formula C35H40N4O10 Molecular Weight 676.71
Cross Link CHEMBL554920
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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