General Information of the Compound
| Compound ID |
CP0553717
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| Compound Name |
3-chloro-N-[2,4-difluoro-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H11ClF2N4O2S
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| Molecular Weight |
444.85
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]ncc2c1
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| InChI |
InChI=1S/C20H11ClF2N4O2S/c21-14-2-1-3-15(9-14)30(28,29)27-18-7-6-17(22)16(19(18)23)5-4-12-8-13-11-25-26-20(13)24-10-12/h1-3,6-11,27H,(H,24,25,26)
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| InChIKey |
MJHHCYZQVTXFMN-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