General Information of the Compound
| Compound ID |
CP0554089
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| Compound Name |
1-[4-[5-chloro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C23H28ClFN6O2
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| Molecular Weight |
474.968
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(OC3CCN(CC3)C(=O)C=C)n2)cc1F
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| InChI |
InChI=1S/C23H28ClFN6O2/c1-3-21(32)31-8-6-17(7-9-31)33-22-18(24)15-26-23(28-22)27-16-4-5-20(19(25)14-16)30-12-10-29(2)11-13-30/h3-5,14-15,17H,1,6-13H2,2H3,(H,26,27,28)
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| InChIKey |
AQMBFLJHJRTAJF-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