General Information of the Compound
| Compound ID |
CP0350484
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| Compound Name |
3-cyano-N-[2,4-difluoro-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 |
C22H14F2N8O3S
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| Molecular Weight |
508.47
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C#N)c1F
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| InChI |
InChI=1S/C22H14F2N8O3S/c1-35-22-15-8-13(10-26-21(15)28-29-22)18-11-32(31-27-18)20-16(23)5-6-17(19(20)24)30-36(33,34)14-4-2-3-12(7-14)9-25/h2-8,10-11,30H,1H3,(H,26,28,29)
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| InChIKey |
SJSNJRWAMPFWPW-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