General Information of the Compound
| Compound ID |
CP0854279
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| Compound Name |
5-Cyclopropyl-3-(3-methoxyphenyl)-N-methyl-N-(6-(trifluoromethyl)pyridin-3-yl)isoxazole-4-carboxamide
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| Structure |
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| Formula |
C21H18F3N3O3
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| Molecular Weight |
417.387
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| Canonical SMILES |
COc1cccc(-c2noc(C3CC3)c2C(=O)N(C)c2ccc(C(F)(F)F)nc2)c1
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| InChI |
InChI=1S/C21H18F3N3O3/c1-27(14-8-9-16(25-11-14)21(22,23)24)20(28)17-18(26-30-19(17)12-6-7-12)13-4-3-5-15(10-13)29-2/h3-5,8-12H,6-7H2,1-2H3
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| InChIKey |
VBPWBKWIDJMUCA-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