MK-5046   Click here for help

GtoPdb Ligand ID: 6170

Synonyms: MK 5046 | MK5046
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 66.21
Molecular weight 444.14
XLogP 5.01
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES FC(C(c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F
Isomeric SMILES FC([C@@](c1ccc(cc1)n1cccn1)(Cc1ncc([nH]1)CC1(CC1)C(F)(F)F)O)(F)F
InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1
InChI Key UJINBEQCDMOAHM-SFHVURJKSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol
Synonyms Click here for help
MK 5046 | MK5046
Database Links Click here for help
ChEMBL Ligand CHEMBL1672354
GtoPdb PubChem SID 178102791
PubChem CID 49871766
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UniChem Connectivity Search for chemical match using the InChIKey UJINBEQCDMOAHM-SFHVURJKSA-N