General Information of the Compound
| Compound ID |
CP0470474
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| Compound Name |
2-(5-bromo-2-(2-methoxy-4-(2-methyl-1H-imidazol-1-yl)phenylamino)pyrimidin-4-ylamino)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C22H22BrN7O3S
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| Molecular Weight |
544.435
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| Canonical SMILES |
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)-n2ccnc2C)ncc1Br
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| InChI |
InChI=1S/C22H22BrN7O3S/c1-14-25-10-11-30(14)15-8-9-17(19(12-15)33-3)28-22-26-13-16(23)21(29-22)27-18-6-4-5-7-20(18)34(31,32)24-2/h4-13,24H,1-3H3,(H2,26,27,28,29)
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| InChIKey |
OWTAOUVQYMPSRH-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