General Information of the Compound
| Compound ID |
CP0491254
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| Compound Name |
2-(5-bromo-2-(2,3-dihydro-1H-inden-4-ylamino)pyrimidin-4-ylamino)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C20H20BrN5O2S
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| Molecular Weight |
474.384
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| Canonical SMILES |
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc3CCCc23)ncc1Br
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| InChI |
InChI=1S/C20H20BrN5O2S/c1-22-29(27,28)18-11-3-2-9-17(18)24-19-15(21)12-23-20(26-19)25-16-10-5-7-13-6-4-8-14(13)16/h2-3,5,7,9-12,22H,4,6,8H2,1H3,(H2,23,24,25,26)
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| InChIKey |
UNXBOPYPCSFEJO-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