General Information of the Compound
| Compound ID |
CP0577023
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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]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C25H17F2N7O3S
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| Molecular Weight |
533.52
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)-c1cn(nn1)-c1c(F)ccc(NS(=O)(=O)c2cccc3ccccc23)c1F
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| InChI |
InChI=1S/C25H17F2N7O3S/c1-37-25-17-11-15(12-28-24(17)30-31-25)20-13-34(33-29-20)23-18(26)9-10-19(22(23)27)32-38(35,36)21-8-4-6-14-5-2-3-7-16(14)21/h2-13,32H,1H3,(H,28,30,31)
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| InChIKey |
RCRNSDSDZVDENT-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