General Information of the Compound
| Compound ID |
CP0431966
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| Compound Name |
2-[4-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethanone
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| Structure |
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| Formula |
C25H24F2N4O2
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| Molecular Weight |
450.489
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| Canonical SMILES |
CC1=NC2CCN(CC2O1)C(=O)Cn1cc(nc1-c1ccc(F)cc1)-c1ccc(F)c(C)c1
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| InChI |
InChI=1S/C25H24F2N4O2/c1-15-11-18(5-8-20(15)27)22-12-31(25(29-22)17-3-6-19(26)7-4-17)14-24(32)30-10-9-21-23(13-30)33-16(2)28-21/h3-8,11-12,21,23H,9-10,13-14H2,1-2H3
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| InChIKey |
WDPTXUVLMFMBCH-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