CFam Chemical Families Database
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You are searching for "CFAMM00381270" in compound.

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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 CFAMM00381270
Family CFFBM7561 Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-cyclohexyl-4,4-difluoro-5-(2-morpholin-4-ylethylamino)-3,5-dioxopentan-2-yl]amino]-1-oxopent-4-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate family
Superfamily CFSAD673 Prothrombin Inhibitor Ximelagatran Superfamily
Class CFCAD608 Class 608
External ID CHEMBL132171 External Source CHEMBL
PubChem CID 44353376 Functional Category Bioactive
Molecule Name methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[(2S)-2-[[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]amino]butanoate
IUPAC Name methyl 4-oxo-4-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[(2S)-2-[[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]propan-2-yl]amino]butanoate
Synonyms CHEBI:317150
InChi InChI=1S/C26H33F3N4O7/c1-15(30-20(34)11-12-21(35)40-3)23(37)31-16(2)25(39)33-13-7-10-19(33)24(38)32-18(22(36)26(27,28)29)14-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-19H,7,10-14H2,1-3H3,(H,30,34)(H,31,37)(H,32,38)/t15-,16-,18-,19-/m0/s1
InChiKey RGSIFPCCTSSAKZ-CAMMJAKZSA-N
Formula C26H33F3N4O7 Molecular Weight 570.56
Cross Link CHEMBL132171
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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