General Information of the Compound
| Compound ID |
CP0436302
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| Compound Name |
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[[methyl(oxan-4-yl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C24H30F3N3O4
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| Molecular Weight |
481.515
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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)C1CCOCC1
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| InChI |
InChI=1S/C24H30F3N3O4/c1-30(18-9-11-33-12-10-18)14-20-21(23(32)28-17-3-2-4-19(31)13-17)29-34-22(20)15-5-7-16(8-6-15)24(25,26)27/h5-8,17-19,31H,2-4,9-14H2,1H3,(H,28,32)/t17-,19+/m1/s1
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| InChIKey |
NBHDZIBOGDDMDF-MJGOQNOKSA-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