General Information of the Compound
| Compound ID |
CP0482827
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| Compound Name |
[3-[[2-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-methylsulfonylanilino]-5-methylpyrimidin-4-yl]amino]phenyl]methanol
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| Structure |
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| Formula |
C26H34N6O4S
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| Molecular Weight |
526.663
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| Canonical SMILES |
COCCN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H34N6O4S/c1-19-17-27-26(30-25(19)28-21-6-4-5-20(13-21)18-33)29-22-14-23(16-24(15-22)37(3,34)35)32-9-7-31(8-10-32)11-12-36-2/h4-6,13-17,33H,7-12,18H2,1-3H3,(H2,27,28,29,30)
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| InChIKey |
GEEZPWHGYMXIJE-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