General Information of the Compound
| Compound ID |
CP0575678
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| Compound Name |
2-[[5-chloro-2-[4-[(4-methylphenyl)sulfonylamino]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C25H23ClN6O3S
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| Molecular Weight |
523.018
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ncc1Cl
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| InChI |
InChI=1S/C25H23ClN6O3S/c1-16-7-13-19(14-8-16)36(34,35)32-18-11-9-17(10-12-18)29-25-28-15-21(26)23(31-25)30-22-6-4-3-5-20(22)24(33)27-2/h3-15,32H,1-2H3,(H,27,33)(H2,28,29,30,31)
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| InChIKey |
KWPRHWALAYAJDD-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