General Information of the Compound
| Compound ID |
CP0574425
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| Compound Name |
N-[3-[[2-[4-[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-3-chloroanilino]-5-chloropyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H30Cl2N6O5
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| Molecular Weight |
589.48
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| Canonical SMILES |
COCCN(CCOC)C(=O)COc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1Cl
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| InChI |
InChI=1S/C27H30Cl2N6O5/c1-4-24(36)31-18-6-5-7-19(14-18)32-26-22(29)16-30-27(34-26)33-20-8-9-23(21(28)15-20)40-17-25(37)35(10-12-38-2)11-13-39-3/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,31,36)(H2,30,32,33,34)
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| InChIKey |
AXILPCOXGYKNKN-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