CFam Chemical Families Database
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You are searching for "CFAMM00428603" 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 CFAMM00428603
Family CFFBM14456 Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxobutanoyl]amino]-3-oxopentanamide family
Superfamily CFSAD673 Prothrombin Inhibitor Ximelagatran Superfamily
Class CFCAD608 Class 608
External ID CHEMBL28702 External Source CHEMBL
PubChem CID 15126569 Functional Category Bioactive
Molecule Name (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]acetyl]amino]-3-oxopentanamide
IUPAC Name (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]acetyl]amino]-3-oxopentanamide
Synonyms CHEBI:141337
InChi InChI=1S/C32H48F2N6O8S/c33-32(34,31(44)35-11-12-39-13-17-47-18-14-39)29(42)26(21-24-7-3-1-4-8-24)37-28(41)23-36-30(43)27(22-25-9-5-2-6-10-25)38-49(45,46)40-15-19-48-20-16-40/h2,5-6,9-10,24,26-27,38H,1,3-4,7-8,11-23H2,(H,35,44)(H,36,43)(H,37,41)/t26-,27-/m0/s1
InChiKey PBGQFZPURRXBDN-SVBPBHIXSA-N
Formula C32H48F2N6O8S Molecular Weight 714.82
Cross Link CHEMBL28702
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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