General Information of the Compound
| Compound ID |
CP0455643
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| Compound Name |
2,3-dichloro-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 |
C21H12Cl2F2N4O3S
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| Molecular Weight |
509.321
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| Canonical SMILES |
COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1F
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| InChI |
InChI=1S/C21H12Cl2F2N4O3S/c1-32-21-13-9-11(10-26-20(13)27-28-21)5-6-12-15(24)7-8-16(19(12)25)29-33(30,31)17-4-2-3-14(22)18(17)23/h2-4,7-10,29H,1H3,(H,26,27,28)
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| InChIKey |
PVDAJIQBDSEKPR-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