General Information of the Compound
| Compound ID |
CP0398676
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| Compound Name |
N-[3-[[5-chloro-2-[4-[3-[ethoxy(morpholin-4-yl)phosphoryl]propoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H34ClN6O5P
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| Molecular Weight |
601.044
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| Canonical SMILES |
CCOP(=O)(CCCOc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1)N1CCOCC1
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| InChI |
InChI=1S/C28H34ClN6O5P/c1-3-26(36)31-22-7-5-8-23(19-22)32-27-25(29)20-30-28(34-27)33-21-9-11-24(12-10-21)39-15-6-18-41(37,40-4-2)35-13-16-38-17-14-35/h3,5,7-12,19-20H,1,4,6,13-18H2,2H3,(H,31,36)(H2,30,32,33,34)
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| InChIKey |
LGVTZEIQHIJXDX-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