General Information of the Compound
| Compound ID |
CP0346969
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| Compound Name |
2-[[2-[4-[3-[ethoxy(morpholin-4-yl)phosphoryl]propoxy]anilino]-5-nitropyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C27H34N7O7P
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| Molecular Weight |
599.585
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| Canonical SMILES |
CCOP(=O)(CCCOc1ccc(Nc2ncc(c(Nc3ccccc3C(=O)NC)n2)[N+]([O-])=O)cc1)N1CCOCC1
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| InChI |
InChI=1S/C27H34N7O7P/c1-3-41-42(38,33-13-16-39-17-14-33)18-6-15-40-21-11-9-20(10-12-21)30-27-29-19-24(34(36)37)25(32-27)31-23-8-5-4-7-22(23)26(35)28-2/h4-5,7-12,19H,3,6,13-18H2,1-2H3,(H,28,35)(H2,29,30,31,32)
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| InChIKey |
ILCHHCHQJWIWRL-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