General Information of the Compound
| Compound ID |
CP0455421
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| Compound Name |
2-(5-bromo-2-(4,4'-dimethoxybiphenyl-3-ylamino)pyrimidin-4-ylamino)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C25H24BrN5O4S
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| Molecular Weight |
570.469
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| Canonical SMILES |
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(ccc2OC)-c2ccc(OC)cc2)ncc1Br
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| InChI |
InChI=1S/C25H24BrN5O4S/c1-27-36(32,33)23-7-5-4-6-20(23)29-24-19(26)15-28-25(31-24)30-21-14-17(10-13-22(21)35-3)16-8-11-18(34-2)12-9-16/h4-15,27H,1-3H3,(H2,28,29,30,31)
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| InChIKey |
JEHGIGXWTTUYGW-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