General Information of the Compound
| Compound ID |
CP0392618
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| Compound Name |
N-[3-[[5-chloro-2-[4-[(4-methoxyphenyl)sulfonylamino]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H23ClN6O4S
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| Molecular Weight |
551.028
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
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| InChI |
InChI=1S/C26H23ClN6O4S/c1-3-24(34)29-19-5-4-6-20(15-19)30-25-23(27)16-28-26(32-25)31-17-7-9-18(10-8-17)33-38(35,36)22-13-11-21(37-2)12-14-22/h3-16,33H,1H2,2H3,(H,29,34)(H2,28,30,31,32)
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| InChIKey |
DBQATJXWBODYOM-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