General Information of the Compound
| Compound ID |
CP0546766
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| Compound Name |
2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-6-(2-methylpropylamino)pyridin-3-yl]phenol
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| Structure |
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| Formula |
C26H30F2N4O
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| Molecular Weight |
452.549
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| Canonical SMILES |
CC(C)CNc1cc(-c2ccc(cc2)N2CCN(C)CC2)c(cn1)-c1cc(F)c(O)c(F)c1
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| InChI |
InChI=1S/C26H30F2N4O/c1-17(2)15-29-25-14-21(22(16-30-25)19-12-23(27)26(33)24(28)13-19)18-4-6-20(7-5-18)32-10-8-31(3)9-11-32/h4-7,12-14,16-17,33H,8-11,15H2,1-3H3,(H,29,30)
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| InChIKey |
RTHBKFCPLFHNBB-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