General Information of the Compound
| Compound ID |
CP0431931
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| Compound Name |
4-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(methylsulfonyl)butanamide
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| Structure |
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| Formula |
C19H18BrFN2O3S
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| Molecular Weight |
453.333
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| Canonical SMILES |
CS(=O)(=O)NC(=O)CCCc1c([nH]c2ccc(Br)cc12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C19H18BrFN2O3S/c1-27(25,26)23-18(24)4-2-3-15-16-11-13(20)7-10-17(16)22-19(15)12-5-8-14(21)9-6-12/h5-11,22H,2-4H2,1H3,(H,23,24)
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| InChIKey |
YADMBOONGRGHEI-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