General Information of the Compound
| Compound ID |
CP0408930
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| Compound Name |
2,6-difluoro-N-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
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| Structure |
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| Formula |
C23H19F3N4O3S
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| Molecular Weight |
488.491
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(cc3c2)-c2ccc(F)cc2)c1F
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| InChI |
InChI=1S/C23H19F3N4O3S/c1-2-9-34(32,33)30-18-8-7-17(25)20(21(18)26)23(31)28-16-10-14-11-19(29-22(14)27-12-16)13-3-5-15(24)6-4-13/h3-8,10-12,30H,2,9H2,1H3,(H,27,29)(H,28,31)
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| InChIKey |
AQYIPUNRXLBLNG-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