General Information of the Compound
| Compound ID |
CP0516420
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| Compound Name |
tert-butyl 5-cyano-4-(2,4-difluorophenyl)-1-ethyl-2,6-dimethyl-4H-pyridine-3-carboxylate
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| Structure |
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| Formula |
C21H24F2N2O2
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| Molecular Weight |
374.431
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| Canonical SMILES |
CCN1C(C)=C(C#N)C(C(C(=O)OC(C)(C)C)=C1C)c1ccc(F)cc1F
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| InChI |
InChI=1S/C21H24F2N2O2/c1-7-25-12(2)16(11-24)19(15-9-8-14(22)10-17(15)23)18(13(25)3)20(26)27-21(4,5)6/h8-10,19H,7H2,1-6H3
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| InChIKey |
VMIHCUUPZAZFAX-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