General Information of the Compound
| Compound ID |
CP0556325
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| Compound Name |
2,6-difluoro-N-[2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
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| Structure |
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| Formula |
C23H21F2N5O5S2
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| Molecular Weight |
549.581
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(cc2)S(C)(=O)=O)c1F
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| InChI |
InChI=1S/C23H21F2N5O5S2/c1-3-10-37(34,35)30-17-9-8-16(24)19(20(17)25)23(31)27-14-11-18-22(26-12-14)29-21(28-18)13-4-6-15(7-5-13)36(2,32)33/h4-9,11-12,30H,3,10H2,1-2H3,(H,27,31)(H,26,28,29)
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| InChIKey |
GYTYZVNVNJSRRX-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