General Information of the Compound
| Compound ID |
CP0562348
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| Compound Name |
N-[2,4-difluoro-3-[4-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]phenyl]-3-methylbenzenesulfonamide
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| Structure |
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| Formula |
C22H17F2N7O3S
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| Molecular Weight |
497.487
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(C)c2)c1F
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| InChI |
InChI=1S/C22H17F2N7O3S/c1-12-4-3-5-14(8-12)35(32,33)29-17-7-6-16(23)20(19(17)24)31-11-18(26-30-31)13-9-15-21(25-10-13)27-28-22(15)34-2/h3-11,29H,1-2H3,(H,25,27,28)
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| InChIKey |
AWNCDMZXFFDAEU-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