General Information of the Compound
| Compound ID |
CP0969756
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| Compound Name |
5-fluoro-N-(2-(4-(4-fluorobenzyl)piperazin-1-yl)-6-methylpyridin-3-yl)-2-hydroxynicotinamide
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| Structure |
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| Formula |
C23H23F2N5O2
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| Molecular Weight |
439.466
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| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(F)cnc2O)c(N2CCN(Cc3ccc(F)cc3)CC2)n1
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| InChI |
InChI=1S/C23H23F2N5O2/c1-15-2-7-20(28-23(32)19-12-18(25)13-26-22(19)31)21(27-15)30-10-8-29(9-11-30)14-16-3-5-17(24)6-4-16/h2-7,12-13H,8-11,14H2,1H3,(H,26,31)(H,28,32)
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| InChIKey |
RDWOITQWHFQRAR-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