CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00313429" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00313429
Family CFFBM584 Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(2-thiophen-2-ylacetyl)amino]propanoyl]amino]-2-oxo-4-phenylmethoxybutanoyl]amino]acetate family
Superfamily CFSBM355 Cathepsin K and Cathepsin L1 Binder Superfamily 3
Class CFCBM136 Class 3186
External ID 54546540 External Source PubChem
PubChem CID 54546540 Functional Category Patent Compound
Molecule Name SureCN11390026
IUPAC Name benzhydryl (6R,7R)-3-(1-acetyloxyethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms
InChi InChI=1S/C30H28N2O6S2/c1-18(37-19(2)33)23-17-40-29-25(31-24(34)16-22-14-9-15-39-22)28(35)32(29)26(23)30(36)38-27(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-15,18,25,27,29H,16-17H2,1-2H3,(H,31,34)/t18?,25-,29-/m1/s1
InChiKey ZGXJDNWQXCJCPP-WCIAPDSHSA-N
Formula C30H28N2O6S2 Molecular Weight 576.68
Cross Link
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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