General Information of the Compound
| Compound ID |
CP0393048
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| Compound Name |
6-(sec-butyl(methyl)amino)-4-(trifluoromethyl)nicotinonitrile
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| Structure |
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| Formula |
C12H14F3N3
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| Molecular Weight |
257.259
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| Canonical SMILES |
CCC(C)N(C)c1cc(c(cn1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3
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| InChIKey |
WMYGSHNEJKIIII-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