General Information of the Compound
| Compound ID |
CP0461642
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| Compound Name |
N-(3-bromo-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide
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| Structure |
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| Formula |
C16H14BrF2N5O3S
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| Molecular Weight |
474.287
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(Br)c3c2)c1F
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| InChI |
InChI=1S/C16H14BrF2N5O3S/c1-2-5-28(26,27)24-11-4-3-10(18)12(13(11)19)16(25)21-8-6-9-14(17)22-23-15(9)20-7-8/h3-4,6-7,24H,2,5H2,1H3,(H,21,25)(H,20,22,23)
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| InChIKey |
HLDIRQFSCNLEAS-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