General Information of the Compound
| Compound ID |
CP0430805
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| Compound Name |
2-(2-(1H-indazol-7-ylamino)-5-bromopyrimidin-4-ylamino)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C18H16BrN7O2S
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| Molecular Weight |
474.344
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| Canonical SMILES |
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc3cn[nH]c23)ncc1Br
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| InChI |
InChI=1S/C18H16BrN7O2S/c1-20-29(27,28)15-8-3-2-6-13(15)23-17-12(19)10-21-18(25-17)24-14-7-4-5-11-9-22-26-16(11)14/h2-10,20H,1H3,(H,22,26)(H2,21,23,24,25)
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| InChIKey |
AOBVNSLSAOQIPY-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