General Information of the Compound
| Compound ID |
CP0348026
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| Compound Name |
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C23H30F3N3O4
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| Molecular Weight |
469.504
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| Canonical SMILES |
CC(C)(CO)CNCc1c(noc1-c1ccc(cc1)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H](O)C1
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| InChI |
InChI=1S/C23H30F3N3O4/c1-22(2,13-30)12-27-11-18-19(21(32)28-16-4-3-5-17(31)10-16)29-33-20(18)14-6-8-15(9-7-14)23(24,25)26/h6-9,16-17,27,30-31H,3-5,10-13H2,1-2H3,(H,28,32)/t16-,17+/m1/s1
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| InChIKey |
KBEWJXHLWZGYOK-SJORKVTESA-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