General Information of the Compound
| Compound ID |
CP0482371
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| Compound Name |
2-[[2-[4-(3-diethoxyphosphorylpropoxy)anilino]-5-nitropyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C25H31N6O7P
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| Molecular Weight |
558.532
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| Canonical SMILES |
CCOP(=O)(CCCOc1ccc(Nc2ncc(c(Nc3ccccc3C(=O)NC)n2)[N+]([O-])=O)cc1)OCC
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| InChI |
InChI=1S/C25H31N6O7P/c1-4-37-39(35,38-5-2)16-8-15-36-19-13-11-18(12-14-19)28-25-27-17-22(31(33)34)23(30-25)29-21-10-7-6-9-20(21)24(32)26-3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H,26,32)(H2,27,28,29,30)
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| InChIKey |
YZICWFQHFUMPTC-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