General Information of the Compound
| Compound ID |
CP0534401
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| Compound Name |
2-[(4-bromo-1H-indol-3-yl)sulfanyl]-N-[(2-ethoxyphenyl)methyl]-N-methoxyacetamide
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| Formula |
C20H21BrN2O3S
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| Molecular Weight |
449.37
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| Canonical SMILES |
CCOc1ccccc1CN(OC)C(=O)CSc1c[nH]c2cccc(Br)c12
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| InChI |
InChI=1S/C20H21BrN2O3S/c1-3-26-17-10-5-4-7-14(17)12-23(25-2)19(24)13-27-18-11-22-16-9-6-8-15(21)20(16)18/h4-11,22H,3,12-13H2,1-2H3
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| InChIKey |
FSFLGRDOGLYDFS-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