General Information of the Compound
| Compound ID |
CP0536607
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| Compound Name |
2-[[2-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]anilino]-5-nitropyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C25H30N7O6P
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| Molecular Weight |
555.532
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| Canonical SMILES |
CCOP(=O)(Cc1ccc(Nc2ncc(c(Nc3ccccc3C(=O)NC)n2)[N+]([O-])=O)cc1)N1CCOCC1
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| InChI |
InChI=1S/C25H30N7O6P/c1-3-38-39(36,31-12-14-37-15-13-31)17-18-8-10-19(11-9-18)28-25-27-16-22(32(34)35)23(30-25)29-21-7-5-4-6-20(21)24(33)26-2/h4-11,16H,3,12-15,17H2,1-2H3,(H,26,33)(H2,27,28,29,30)
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| InChIKey |
ISIFJOGLNBZMQC-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