General Information of the Compound
| Compound ID |
CP0446076
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| Compound Name |
N-[3-[[5-chloro-2-[4-(3-diethoxyphosphorylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H31ClN5O5P
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| Molecular Weight |
559.991
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| Canonical SMILES |
CCOP(=O)(CCCOc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)OCC
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| InChI |
InChI=1S/C26H31ClN5O5P/c1-4-24(33)29-20-9-7-10-21(17-20)30-25-23(27)18-28-26(32-25)31-19-11-13-22(14-12-19)35-15-8-16-38(34,36-5-2)37-6-3/h4,7,9-14,17-18H,1,5-6,8,15-16H2,2-3H3,(H,29,33)(H2,28,30,31,32)
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| InChIKey |
HHPNUHRTUDUNKU-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