MK-0767   Click here for help

GtoPdb Ligand ID: 2677

Synonyms: KRP 297 | KRP-297 | MK 767  | MK-767
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 109.8
Molecular weight 438.09
XLogP 2.99
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)CC1SC(=O)NC1=O
Isomeric SMILES COc1ccc(cc1C(=O)NCc1ccc(cc1)C(F)(F)F)CC1SC(=O)NC1=O
InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)
InChI Key NFFXEUUOMTXWCX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
Synonyms Click here for help
KRP 297 | KRP-297 | MK 767  | MK-767
Database Links Click here for help
BindingDB Ligand 50075315
ChEBI CHEBI:133817
ChEMBL Ligand CHEMBL24458
GtoPdb PubChem SID 135650612
PubChem CID 151183
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UniChem Connectivity Search for chemical match using the InChIKey NFFXEUUOMTXWCX-UHFFFAOYSA-N