General Information of the Compound
| Compound ID |
CP0944396
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| Compound Name |
3-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-N-((1r,4r)-4-hydroxycyclohexyl)benzamide
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| Formula |
C21H21ClF3NO3
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| Molecular Weight |
427.85
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](O)CC1)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1
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| InChI |
InChI=1S/C21H21ClF3NO3/c22-18-11-15(21(23,24)25)4-9-19(18)29-12-13-2-1-3-14(10-13)20(28)26-16-5-7-17(27)8-6-16/h1-4,9-11,16-17,27H,5-8,12H2,(H,26,28)/t16-,17-
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| InChIKey |
APTWGKDPPZDDFL-QAQDUYKDSA-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