General Information of the Compound
| Compound ID |
CP0462335
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| Compound Name |
3-chloro-N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-imidazol-5-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H15ClF2N6O3S
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| Molecular Weight |
516.917
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1ncc([nH]1)-c1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F
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| InChI |
InChI=1S/C22H15ClF2N6O3S/c1-34-22-14-7-11(9-26-21(14)29-30-22)20-27-10-17(28-20)18-15(24)5-6-16(19(18)25)31-35(32,33)13-4-2-3-12(23)8-13/h2-10,31H,1H3,(H,27,28)(H,26,29,30)
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| InChIKey |
YXSMBYAUZINJQB-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