General Information of the Compound
| Compound ID |
CP0944246
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| Compound Name |
N-(1-(1-(4-chloro-3-methoxyphenyl)piperidin-4-yl)-2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-2-hydroxyacetamide
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| Structure |
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| Formula |
C21H26ClF3N4O3
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| Molecular Weight |
474.911
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| Canonical SMILES |
COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)cc3C)NC(=O)CO)CC2)ccc1Cl
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| InChI |
InChI=1S/C21H26ClF3N4O3/c1-13-9-19(21(23,24)25)27-29(13)11-17(26-20(31)12-30)14-5-7-28(8-6-14)15-3-4-16(22)18(10-15)32-2/h3-4,9-10,14,17,30H,5-8,11-12H2,1-2H3,(H,26,31)
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| InChIKey |
XOCKLDYQXLSURJ-UHFFFAOYSA-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