General Information of the Compound
| Compound ID |
CP0431567
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| Compound Name |
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(dimethylsulfamoyl)anilino]-5-iodopyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H35IN8O4S
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| Molecular Weight |
694.6
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| Canonical SMILES |
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)N(C)C)n1
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| InChI |
InChI=1S/C27H35IN8O4S/c1-8-25(37)30-20-15-21(23(40-7)16-22(20)36(6)14-13-34(2)3)32-27-29-17-18(28)26(33-27)31-19-11-9-10-12-24(19)41(38,39)35(4)5/h8-12,15-17H,1,13-14H2,2-7H3,(H,30,37)(H2,29,31,32,33)
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| InChIKey |
ADQFBAMWKUTCQJ-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