General Information of the Compound
| Compound ID |
CP0441587
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| Compound Name |
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C23H30F3N3O3
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| Molecular Weight |
453.505
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| Canonical SMILES |
CCN(Cc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1)C(C)C
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| InChI |
InChI=1S/C23H30F3N3O3/c1-4-29(14(2)3)13-19-20(22(31)27-17-6-5-7-18(30)12-17)28-32-21(19)15-8-10-16(11-9-15)23(24,25)26/h8-11,14,17-18,30H,4-7,12-13H2,1-3H3,(H,27,31)/t17-,18+/m1/s1
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| InChIKey |
DISXQTWISHCFDW-MSOLQXFVSA-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