General Information of the Compound
| Compound ID |
CP0555489
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| Compound Name |
N-[3-[[5-chloro-2-[4-[[ethoxy(morpholin-4-yl)phosphoryl]methyl]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H30ClN6O4P
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| Molecular Weight |
556.991
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| Canonical SMILES |
CCOP(=O)(Cc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C26H30ClN6O4P/c1-3-24(34)29-21-6-5-7-22(16-21)30-25-23(27)17-28-26(32-25)31-20-10-8-19(9-11-20)18-38(35,37-4-2)33-12-14-36-15-13-33/h3,5-11,16-17H,1,4,12-15,18H2,2H3,(H,29,34)(H2,28,30,31,32)
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| InChIKey |
JFZXVWIDIRSXGO-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