General Information of the Compound
| Compound ID |
CP0429223
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| Compound Name |
[(1S,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclohexyl]methylurea
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| Structure |
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| Formula |
C23H24F6N2O2
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| Molecular Weight |
474.445
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| Canonical SMILES |
NC(=O)NC[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C23H24F6N2O2/c24-22(25,26)17-9-14(10-18(11-17)23(27,28)29)13-33-19-8-4-7-16(12-31-21(30)32)20(19)15-5-2-1-3-6-15/h1-3,5-6,9-11,16,19-20H,4,7-8,12-13H2,(H3,30,31,32)/t16-,19+,20-/m1/s1
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| InChIKey |
GTYZTMYLHNWKSE-LSTHTHJFSA-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