General Information of the Compound
| Compound ID |
CP0506086
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| Compound Name |
4-chloro-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C18H18ClF3N2O3
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| Molecular Weight |
402.8
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| Canonical SMILES |
OC[C@H]1CCCC[C@H]1NC(=O)c1noc(c1Cl)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H18ClF3N2O3/c19-14-15(17(26)23-13-4-2-1-3-11(13)9-25)24-27-16(14)10-5-7-12(8-6-10)18(20,21)22/h5-8,11,13,25H,1-4,9H2,(H,23,26)/t11-,13-/m1/s1
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| InChIKey |
SNMGRCYWZKLHMB-DGCLKSJQSA-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