General Information of the Compound
| Compound ID |
CP0523817
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| Compound Name |
tert-butyl 5-cyano-4-(2,4-difluorophenyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylate
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| Structure |
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| Formula |
C22H26F2N2O3
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| Molecular Weight |
404.457
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| Canonical SMILES |
COCCN1C(C)=C(C#N)C(C(C(=O)OC(C)(C)C)=C1C)c1ccc(F)cc1F
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| InChI |
InChI=1S/C22H26F2N2O3/c1-13-17(12-25)20(16-8-7-15(23)11-18(16)24)19(21(27)29-22(3,4)5)14(2)26(13)9-10-28-6/h7-8,11,20H,9-10H2,1-6H3
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| InChIKey |
LWKHDAIIFXVJMJ-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