General Information of the Compound
| Compound ID |
CP0494095
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| Compound Name |
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C21H23F6N3O4
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| Molecular Weight |
495.42
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| Canonical SMILES |
OC(CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F6N3O4/c22-20(23,24)12-6-4-11(5-7-12)18-15(9-28-10-16(32)21(25,26)27)17(30-34-18)19(33)29-13-2-1-3-14(31)8-13/h4-7,13-14,16,28,31-32H,1-3,8-10H2,(H,29,33)/t13-,14+,16?/m1/s1
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| InChIKey |
HSJUMDPVHRNNSM-CNYCQXTOSA-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