General Information of the Compound
| Compound ID |
CP0199156
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| Compound Name |
4-[6-amino-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]-2,6-difluorophenol
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| Structure |
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| Formula |
C22H22F2N4O
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| Molecular Weight |
396.441
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1cc(N)ncc1-c1cc(F)c(O)c(F)c1
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| InChI |
InChI=1S/C22H22F2N4O/c1-27-6-8-28(9-7-27)16-4-2-14(3-5-16)17-12-21(25)26-13-18(17)15-10-19(23)22(29)20(24)11-15/h2-5,10-13,29H,6-9H2,1H3,(H2,25,26)
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| InChIKey |
ZPBALWYVPVVNDT-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