General Information of the Compound
| Compound ID |
CP0394512
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| Compound Name |
6-[difluoro(pyrimidin-5-yl)methyl]-N-(4-methylpyridin-2-yl)quinoline-8-carboxamide
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| Structure |
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| Formula |
C21H15F2N5O
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| Molecular Weight |
391.381
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| Canonical SMILES |
Cc1ccnc(NC(=O)c2cc(cc3cccnc23)C(F)(F)c2cncnc2)c1
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| InChI |
InChI=1S/C21H15F2N5O/c1-13-4-6-26-18(7-13)28-20(29)17-9-15(8-14-3-2-5-27-19(14)17)21(22,23)16-10-24-12-25-11-16/h2-12H,1H3,(H,26,28,29)
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| InChIKey |
QUYNDAZWFVUGKH-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