General Information of the Compound
| Compound ID |
CP0851096
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| Compound Name |
5-Ethyl-3-(3-methoxyphenyl)-N-methyl-N-(6-(trifluoromethyl)pyridin-3-yl)isoxazole-4-carboxamide
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| Structure |
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| Formula |
C20H18F3N3O3
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| Molecular Weight |
405.376
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| Canonical SMILES |
CCc1onc(-c2cccc(OC)c2)c1C(=O)N(C)c1ccc(C(F)(F)F)nc1
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| InChI |
InChI=1S/C20H18F3N3O3/c1-4-15-17(18(25-29-15)12-6-5-7-14(10-12)28-3)19(27)26(2)13-8-9-16(24-11-13)20(21,22)23/h5-11H,4H2,1-3H3
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| InChIKey |
DSAASYWIPKIPEP-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