CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00238670" in compound.

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CFAM Mol ID CFAMM00238670
Family CFFID1425 Neuromedin-K receptor Ligand PD-160946 Family
Superfamily CFSID698 Cruzipain and Cathepsin S Binder Superfamily
Class CFCCD382 Class 1195
External ID CHEMBL329981 External Source CHEMBL
PubChem CID 10418066 Functional Category Bioactive
Molecule Name benzyl N-[2-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-ylhexanoyl]amino]ethyl]carbamate
IUPAC Name benzyl N-[2-[[(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[[(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoyl]amino]-2-propan-2-ylhexanoyl]amino]ethyl]carbamate
Synonyms CHEBI:267443
InChi InChI=1S/C47H72N4O9/c1-5-6-22-42(60-43(30-36-18-12-8-13-19-36)46(55)51-27-23-38(24-28-51)59-33-57-4)45(54)50-40(29-35-16-10-7-11-17-35)41(52)31-39(34(2)3)44(53)48-25-26-49-47(56)58-32-37-20-14-9-15-21-37/h8-9,12-15,18-21,34-35,38-43,52H,5-7,10-11,16-17,22-33H2,1-4H3,(H,48,53)(H,49,56)(H,50,54)/t39-,40-,41-,42-,43-/m0/s1
Formula C47H72N4O9 Molecular Weight 837.10
Cross Link CHEMBL329981

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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