General Information of the Compound
| Compound ID |
CP0547155
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| Compound Name |
N-[3-[[2-[4-[[2-[bis(2-methoxyethyl)amino]acetyl]amino]-3-methylanilino]-5-chloropyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H34ClN7O4
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| Molecular Weight |
568.078
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| Canonical SMILES |
COCCN(CCOC)CC(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1C
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| InChI |
InChI=1S/C28H34ClN7O4/c1-5-25(37)31-20-7-6-8-21(16-20)32-27-23(29)17-30-28(35-27)33-22-9-10-24(19(2)15-22)34-26(38)18-36(11-13-39-3)12-14-40-4/h5-10,15-17H,1,11-14,18H2,2-4H3,(H,31,37)(H,34,38)(H2,30,32,33,35)
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| InChIKey |
GBIPSADCLLLTSK-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