General Information of the Compound
| Compound ID |
CP0549053
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| Compound Name |
4-chloro-N-(4-hydroxybutyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
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| Structure |
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| Formula |
C15H14ClF3N2O3
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| Molecular Weight |
362.735
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| Canonical SMILES |
OCCCCNC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C15H14ClF3N2O3/c16-11-12(14(23)20-7-1-2-8-22)21-24-13(11)9-3-5-10(6-4-9)15(17,18)19/h3-6,22H,1-2,7-8H2,(H,20,23)
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| InChIKey |
XDELYWOQWCKCQO-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