General Information of the Compound
| Compound ID |
CP0545974
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| Compound Name |
2-[[5-chloro-2-[4-(diethoxyphosphorylmethyl)anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C23H27ClN5O4P
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| Molecular Weight |
503.927
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| Canonical SMILES |
CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)NC)n2)cc1)OCC
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| InChI |
InChI=1S/C23H27ClN5O4P/c1-4-32-34(31,33-5-2)15-16-10-12-17(13-11-16)27-23-26-14-19(24)21(29-23)28-20-9-7-6-8-18(20)22(30)25-3/h6-14H,4-5,15H2,1-3H3,(H,25,30)(H2,26,27,28,29)
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| InChIKey |
BROWGAZWDNMWEM-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