General Information of the Compound
| Compound ID |
CP0534115
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| Compound Name |
1-(4-(5-bromo-4-(2-(N-methylsulfamoyl)phenylamino)pyrimidin-2-ylamino)-3-methoxyphenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C24H28BrN7O4S
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| Molecular Weight |
590.504
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| Canonical SMILES |
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCCC(C2)C(N)=O)ncc1Br
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| InChI |
InChI=1S/C24H28BrN7O4S/c1-27-37(34,35)21-8-4-3-7-19(21)29-23-17(25)13-28-24(31-23)30-18-10-9-16(12-20(18)36-2)32-11-5-6-15(14-32)22(26)33/h3-4,7-10,12-13,15,27H,5-6,11,14H2,1-2H3,(H2,26,33)(H2,28,29,30,31)
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| InChIKey |
GJBCCJLNWRJQSU-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