General Information of the Compound
| Compound ID |
CP0459580
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| Compound Name |
2-[1-(3-bromobenzyl)-4,6-difluoro-indol-3-yl]sulfonyl-N-(5-methylisoxazol-3-yl)acetamide
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| Structure |
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| Formula |
C21H16BrF2N3O4S
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| Molecular Weight |
524.343
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| Canonical SMILES |
Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3)c3cc(F)cc(F)c23)no1
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| InChI |
InChI=1S/C21H16BrF2N3O4S/c1-12-5-19(26-31-12)25-20(28)11-32(29,30)18-10-27(9-13-3-2-4-14(22)6-13)17-8-15(23)7-16(24)21(17)18/h2-8,10H,9,11H2,1H3,(H,25,26,28)
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| InChIKey |
QKZGUODGYRLJMW-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