General Information of the Compound
| Compound ID |
CP0491727
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| Compound Name |
3-chloro-N-[2,4-difluoro-3-[2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C21H13ClF2N4O2S
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| Molecular Weight |
458.877
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| Canonical SMILES |
Cn1ncc2cc(cnc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F
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| InChI |
InChI=1S/C21H13ClF2N4O2S/c1-28-21-14(12-26-28)9-13(11-25-21)5-6-17-18(23)7-8-19(20(17)24)27-31(29,30)16-4-2-3-15(22)10-16/h2-4,7-12,27H,1H3
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| InChIKey |
PZTDCKJOTIFNED-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