General Information of the Compound
| Compound ID |
CP0489764
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| Compound Name |
2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Acid[6-(3-Ethoxyazetidin-1-yl)pyridin-3-yl]amide
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| Structure |
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| Formula |
C21H19F3N4O3
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| Molecular Weight |
432.402
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| Canonical SMILES |
CCOC1CN(C1)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1
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| InChI |
InChI=1S/C21H19F3N4O3/c1-2-30-15-11-28(12-15)16-9-8-14(10-25-16)26-19(29)17-18(21(22,23)24)31-20(27-17)13-6-4-3-5-7-13/h3-10,15H,2,11-12H2,1H3,(H,26,29)
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| InChIKey |
PLKBDUMHSGZJRM-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