General Information of the Compound
| Compound ID |
CP0535733
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| Compound Name |
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
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| Structure |
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| Formula |
C14H18F3NO
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| Molecular Weight |
273.298
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| Canonical SMILES |
CCC(C)(C)C(=O)N(C)Cc1cc(F)cc(F)c1F
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| InChI |
InChI=1S/C14H18F3NO/c1-5-14(2,3)13(19)18(4)8-9-6-10(15)7-11(16)12(9)17/h6-7H,5,8H2,1-4H3
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| InChIKey |
NLVAZOSKQRHRCB-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