General Information of the Compound
| Compound ID |
CP0495424
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| Compound Name |
4-Methyl-pentanoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
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| Structure |
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| Formula |
C19H19F6NO2
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| Molecular Weight |
407.354
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| Canonical SMILES |
CC(C)CCC(=O)Nc1c(ccc2ccccc12)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H19F6NO2/c1-11(2)7-10-15(27)26-16-13-6-4-3-5-12(13)8-9-14(16)17(28,18(20,21)22)19(23,24)25/h3-6,8-9,11,28H,7,10H2,1-2H3,(H,26,27)
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| InChIKey |
RZELQLWNPGHRCA-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