General Information of the Compound
| Compound ID |
CP0442323
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| Compound Name |
2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-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 |
C25H25FN4O2
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| Molecular Weight |
432.499
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| Canonical SMILES |
CC1=NC2CCN(CC2O1)C(=O)Cn1cc(nc1-c1ccccc1)-c1ccc(F)c(C)c1
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| InChI |
InChI=1S/C25H25FN4O2/c1-16-12-19(8-9-20(16)26)22-13-30(25(28-22)18-6-4-3-5-7-18)15-24(31)29-11-10-21-23(14-29)32-17(2)27-21/h3-9,12-13,21,23H,10-11,14-15H2,1-2H3
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| InChIKey |
WYMYQEHQOIOBNL-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