General Information of the Compound
| Compound ID |
CP0498295
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| Compound Name |
N-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
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| Synonyms |
BDBM50393143
GTPL5514
PMID21571530C5g
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| Structure |
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| Formula |
C23H18F4N4O2
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| Molecular Weight |
458.415
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| Canonical SMILES |
Fc1ccc(cc1C(F)(F)F)-c1cc(CNC(=O)CCCc2ccc3cccnc3n2)on1
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| InChI |
InChI=1S/C23H18F4N4O2/c24-19-9-7-15(11-18(19)23(25,26)27)20-12-17(33-31-20)13-29-21(32)5-1-4-16-8-6-14-3-2-10-28-22(14)30-16/h2-3,6-12H,1,4-5,13H2,(H,29,32)
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| InChIKey |
SWKGPCNQBPGWNX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT07049, 2-oxoglutarate receptor 1
Protein ID: PT06274, Succinate receptor 1
Protein ID: PT06999, Succinate receptor 1
Clinical Information about the Compound