CFam Chemical Families Database
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You are searching for "CFAMM00345745" in compound.

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CFAM Mol ID CFAMM00345745
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 CHEMBL282913 External Source CHEMBL
PubChem CID 44458668 Functional Category Bioactive
Molecule Name (3S)-3-hydroxy-6-methyl-N-(2-methylbutyl)-4-[[8-(methylcarbamothioylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]octanoyl]amino]heptanamide
IUPAC Name (3S)-3-hydroxy-6-methyl-N-(2-methylbutyl)-4-[[8-(methylcarbamothioylamino)-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]octanoyl]amino]heptanamide
Synonyms CHEBI:129542
InChi InChI=1S/C47H65N5O4S/c1-6-33(4)31-50-44(54)30-43(53)42(27-32(2)3)52-46(56)41(25-9-7-8-14-26-49-47(57)48-5)51-45(55)38(28-36-21-15-19-34-17-10-12-23-39(34)36)29-37-22-16-20-35-18-11-13-24-40(35)37/h10-13,15-24,32-33,38,41-43,53H,6-9,14,25-31H2,1-5H3,(H,50,54)(H,51,55)(H,52,56)(H2,48,49,57)/t33?,41?,42?,43-/m0/s1
Formula C47H65N5O4S Molecular Weight 796.12
Cross Link CHEMBL282913

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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