General Information of the Compound
| Compound ID |
CP0432644
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| Compound Name |
N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H14F2N4O3S
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| Molecular Weight |
440.431
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2)c1F
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| InChI |
InChI=1S/C21H14F2N4O3S/c1-30-21-16-11-13(12-24-20(16)25-26-21)7-8-15-17(22)9-10-18(19(15)23)27-31(28,29)14-5-3-2-4-6-14/h2-6,9-12,27H,1H3,(H,24,25,26)
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| InChIKey |
NPVYSKNKKIWWJD-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