General Information of the Compound
| Compound ID |
CP0471773
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| Compound Name |
2-(5-bromo-2-(2,4-difluorophenylamino)pyrimidin-4-ylamino)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C17H14BrF2N5O2S
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| Molecular Weight |
470.299
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| Canonical SMILES |
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(F)cc2F)ncc1Br
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| InChI |
InChI=1S/C17H14BrF2N5O2S/c1-21-28(26,27)15-5-3-2-4-14(15)23-16-11(18)9-22-17(25-16)24-13-7-6-10(19)8-12(13)20/h2-9,21H,1H3,(H2,22,23,24,25)
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| InChIKey |
YXMUIXGURFNGQP-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