CFam Chemical Families Database
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You are searching for "CFAMM00345746" in compound.

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CFAM Mol ID CFAMM00345746
Family CFFBM3345 Renin and Cathepsin D inhibitor (3S)-4-[[6-acetamido-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hex-4-ynoyl]amino]-3-hydroxy-6-methyl-N-(2-methylbutyl)heptanamide family
Superfamily CFSBM1911 Renin and Cathepsin D Binder Superfamily
Class CFCID697 Class 2047
External ID CHEMBL23920 External Source CHEMBL
PubChem CID 44458723 Functional Category Bioactive
Molecule Name N-[(3R)-1-[2-(2-aminoethyl)morpholin-4-yl]-2,2-difluoro-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-6-(methylcarbamothioylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hexanamide
IUPAC Name N-[(3R)-1-[2-(2-aminoethyl)morpholin-4-yl]-2,2-difluoro-3-hydroxy-6-methyl-1-oxoheptan-4-yl]-6-(methylcarbamothioylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]hexanamide
Synonyms CHEBI:129665
InChi InChI=1S/C46H60F2N6O5S/c1-30(2)26-40(41(55)46(47,48)44(58)54-24-25-59-36(29-54)21-22-49)53-43(57)39(20-8-9-23-51-45(60)50-3)52-42(56)35(27-33-16-10-14-31-12-4-6-18-37(31)33)28-34-17-11-15-32-13-5-7-19-38(32)34/h4-7,10-19,30,35-36,39-41,55H,8-9,20-29,49H2,1-3H3,(H,52,56)(H,53,57)(H2,50,51,60)/t36?,39?,40?,41-/m1/s1
InChiKey ZRRTXYZBNRRMDM-KFKRJCRXSA-N
Formula C46H60F2N6O5S Molecular Weight 847.07
Cross Link CHEMBL23920
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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