General Information of the Compound
| Compound ID |
CP0482373
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| Compound Name |
2-[[2-[4-(diethoxyphosphorylmethyl)anilino]-5-nitropyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C23H27N6O6P
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| Molecular Weight |
514.479
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| Canonical SMILES |
CCOP(=O)(Cc1ccc(Nc2ncc(c(Nc3ccccc3C(=O)NC)n2)[N+]([O-])=O)cc1)OCC
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| InChI |
InChI=1S/C23H27N6O6P/c1-4-34-36(33,35-5-2)15-16-10-12-17(13-11-16)26-23-25-14-20(29(31)32)21(28-23)27-19-9-7-6-8-18(19)22(30)24-3/h6-14H,4-5,15H2,1-3H3,(H,24,30)(H2,25,26,27,28)
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| InChIKey |
JOINNSMFYCSKGD-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