General Information of the Compound
| Compound ID |
CP0126246
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| Compound Name |
2,6-difluoro-4-[6-(4-methylanilino)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
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| Structure |
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| Formula |
C29H28F2N4O
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| Molecular Weight |
486.566
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1cc(Nc2ccc(C)cc2)ncc1-c1cc(F)c(O)c(F)c1
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| InChI |
InChI=1S/C29H28F2N4O/c1-19-3-7-22(8-4-19)33-28-17-24(25(18-32-28)21-15-26(30)29(36)27(31)16-21)20-5-9-23(10-6-20)35-13-11-34(2)12-14-35/h3-10,15-18,36H,11-14H2,1-2H3,(H,32,33)
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| InChIKey |
PBZUKXQEJRTGRV-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