General Information of the Compound
| Compound ID |
CP0378441
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| Compound Name |
(1R,3S)-4-chloro-5-(3,4-difluorophenyl)-N-(3-hydroxycyclohexyl)isoxazole-3-carboxamide
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| Structure |
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| Formula |
C16H15ClF2N2O3
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| Molecular Weight |
356.756
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| Canonical SMILES |
O[C@H]1CCC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C16H15ClF2N2O3/c17-13-14(16(23)20-9-2-1-3-10(22)7-9)21-24-15(13)8-4-5-11(18)12(19)6-8/h4-6,9-10,22H,1-3,7H2,(H,20,23)/t9-,10+/m1/s1
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| InChIKey |
HPPGBVIWAXUVQK-ZJUUUORDSA-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