General Information of the Compound
| Compound ID |
CP0549056
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| Compound Name |
(1R,3S)-4-chloro-5-(3,4-difluorophenyl)-N-(3-hydroxycyclopentyl)isoxazole-3-carboxamide
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| Structure |
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| Formula |
C15H13ClF2N2O3
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| Molecular Weight |
342.729
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| Canonical SMILES |
O[C@H]1CC[C@H](C1)NC(=O)c1noc(c1Cl)-c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C15H13ClF2N2O3/c16-12-13(15(22)19-8-2-3-9(21)6-8)20-23-14(12)7-1-4-10(17)11(18)5-7/h1,4-5,8-9,21H,2-3,6H2,(H,19,22)/t8-,9+/m1/s1
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| InChIKey |
MVLHTVAMAHQSAI-BDAKNGLRSA-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