General Information of the Compound
| Compound ID |
CP0691085
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| Compound Name |
Propane-1-sulfonic acid [3-(2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl)-2,4-difluorophenyl]amide
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| Structure |
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| Formula |
C16H13BrF2N4O3S
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| Molecular Weight |
459.272
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)nc23)c1F
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| InChI |
InChI=1S/C16H13BrF2N4O3S/c1-2-5-27(25,26)23-10-4-3-9(18)12(13(10)19)15(24)8-6-20-16-14(8)22-11(17)7-21-16/h3-4,6-7,23H,2,5H2,1H3,(H,20,21)
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| InChIKey |
MFWJJPPJVMBTNQ-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