CFam Chemical Families Database
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You are searching for "CFAMM00428604" in compound.

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CFAM Mol ID CFAMM00428604
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 CHEMBL31438 External Source CHEMBL
PubChem CID 44278793 Functional Category Bioactive
Molecule Name (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-oxo-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide
IUPAC Name (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-oxo-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide
Synonyms CHEBI:141599
InChi InChI=1S/C35H50F2N6O9S/c1-2-9-27(39-33(47)29(30(44)26-12-7-4-8-13-26)41-53(49,50)43-18-22-52-23-19-43)32(46)40-28(24-25-10-5-3-6-11-25)31(45)35(36,37)34(48)38-14-15-42-16-20-51-21-17-42/h2,4,7-8,12-13,25,27-29,41H,1,3,5-6,9-11,14-24H2,(H,38,48)(H,39,47)(H,40,46)/t27-,28-,29-/m0/s1
Formula C35H50F2N6O9S Molecular Weight 768.87
Cross Link CHEMBL31438

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).

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National University of Singapore, Singapore

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