General Information of the Compound
| Compound ID |
CP0567197
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| Compound Name |
2-[[5-chloro-2-[4-(3-diethoxyphosphorylpropoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C25H31ClN5O5P
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| Molecular Weight |
547.98
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| Canonical SMILES |
CCOP(=O)(CCCOc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)cc1)OCC
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| InChI |
InChI=1S/C25H31ClN5O5P/c1-4-35-37(33,36-5-2)16-8-15-34-19-13-11-18(12-14-19)29-25-28-17-21(26)23(31-25)30-22-10-7-6-9-20(22)24(32)27-3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,27,32)(H2,28,29,30,31)
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| InChIKey |
AMFRKVKUQCVWJO-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