General Information of the Compound
| Compound ID |
CP0506088
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| Compound Name |
(4-chloro-5-(4-(trifluoromethyl)phenyl)isoxazol-3-yl)(4-hydroxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C16H14ClF3N2O3
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| Molecular Weight |
374.746
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| Canonical SMILES |
OC1CCN(CC1)C(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H14ClF3N2O3/c17-12-13(15(24)22-7-5-11(23)6-8-22)21-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11,23H,5-8H2
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| InChIKey |
CZUCFJFFPOZNMO-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