General Information of the Compound
| Compound ID |
CP0454326
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| Compound Name |
(R)-6-(1-phenylethylamino)-4-(trifluoromethyl)nicotinonitrile
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| Structure |
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| Formula |
C15H12F3N3
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| Molecular Weight |
291.276
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| Canonical SMILES |
C[C@@H](Nc1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C15H12F3N3/c1-10(11-5-3-2-4-6-11)21-14-7-13(15(16,17)18)12(8-19)9-20-14/h2-7,9-10H,1H3,(H,20,21)/t10-/m1/s1
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| InChIKey |
YDGLPDHCVZMDRD-SNVBAGLBSA-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