General Information of the Compound
| Compound ID |
CP0561871
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| Compound Name |
3-chloro-N-[4-fluoro-3-[4-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H15ClFN7O3S
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| Molecular Weight |
499.915
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1F
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| InChI |
InChI=1S/C21H15ClFN7O3S/c1-33-21-16-7-12(10-24-20(16)26-27-21)18-11-30(29-25-18)19-9-14(5-6-17(19)23)28-34(31,32)15-4-2-3-13(22)8-15/h2-11,28H,1H3,(H,24,26,27)
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| InChIKey |
CRJDQLQMEZZQLC-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