General Information of the Compound
| Compound ID |
CP0506673
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| Compound Name |
3-Methyl-but-2-enoic 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 |
C18H15F6NO2
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| Molecular Weight |
391.311
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| Canonical SMILES |
CC(C)=CC(=O)Nc1c(ccc2ccccc12)C(O)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C18H15F6NO2/c1-10(2)9-14(26)25-15-12-6-4-3-5-11(12)7-8-13(15)16(27,17(19,20)21)18(22,23)24/h3-9,27H,1-2H3,(H,25,26)
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| InChIKey |
ZJEWUZAKMLXIOP-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