General Information of the Compound
| Compound ID |
CP0473915
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| Compound Name |
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[[methyl-[(3R)-oxolan-3-yl]amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C23H28F3N3O4
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| Molecular Weight |
467.488
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| Canonical SMILES |
CN(Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCOC1
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| InChI |
InChI=1S/C23H28F3N3O4/c1-29(17-9-10-32-13-17)12-19-20(22(31)27-16-3-2-4-18(30)11-16)28-33-21(19)14-5-7-15(8-6-14)23(24,25)26/h5-8,16-18,30H,2-4,9-13H2,1H3,(H,27,31)/t16-,17-,18+/m1/s1
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| InChIKey |
LIVRZEBOZTZRGY-KURKYZTESA-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