General Information of the Compound
| Compound ID |
CP0356023
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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-propan-2-ylbenzenesulfonamide
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| Structure |
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| Formula |
C24H21F2N7O3S
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| Molecular Weight |
525.541
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc(c2)C(C)C)c1F
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| InChI |
InChI=1S/C24H21F2N7O3S/c1-13(2)14-5-4-6-16(9-14)37(34,35)31-19-8-7-18(25)22(21(19)26)33-12-20(28-32-33)15-10-17-23(27-11-15)29-30-24(17)36-3/h4-13,31H,1-3H3,(H,27,29,30)
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| InChIKey |
RDDZCQXKIJXMQN-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