General Information of the Compound
| Compound ID |
CP0408300
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| Compound Name |
N-[3-[5-chloro-2-[3-methyl-4-[(4-methylphenyl)sulfonylamino]anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C27H24ClN5O4S
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| Molecular Weight |
550.04
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)cc1C
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| InChI |
InChI=1S/C27H24ClN5O4S/c1-4-25(34)30-19-6-5-7-21(15-19)37-26-23(28)16-29-27(32-26)31-20-10-13-24(18(3)14-20)33-38(35,36)22-11-8-17(2)9-12-22/h4-16,33H,1H2,2-3H3,(H,30,34)(H,29,31,32)
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| InChIKey |
DVGVIEURKHLUGO-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