General Information of the Compound
| Compound ID |
CP0564773
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| Compound Name |
2-[[5-chloro-2-[4-[4-(trifluoromethylsulfonylamino)phenoxy]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C25H20ClF3N6O4S
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| Molecular Weight |
592.987
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc(Oc3ccc(NS(=O)(=O)C(F)(F)F)cc3)cc2)ncc1Cl
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| InChI |
InChI=1S/C25H20ClF3N6O4S/c1-30-23(36)19-4-2-3-5-21(19)33-22-20(26)14-31-24(34-22)32-15-6-10-17(11-7-15)39-18-12-8-16(9-13-18)35-40(37,38)25(27,28)29/h2-14,35H,1H3,(H,30,36)(H2,31,32,33,34)
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| InChIKey |
MEBNSHLRTNCJFF-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