General Information of the Compound
| Compound ID |
CP0419989
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| Compound Name |
2-[(6-bromo-1H-indol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]acetamide
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| Formula |
C18H17BrN2O2S
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| Molecular Weight |
405.317
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| Canonical SMILES |
COc1ccccc1CNC(=O)CSc1c[nH]c2cc(Br)ccc12
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| InChI |
InChI=1S/C18H17BrN2O2S/c1-23-16-5-3-2-4-12(16)9-21-18(22)11-24-17-10-20-15-8-13(19)6-7-14(15)17/h2-8,10,20H,9,11H2,1H3,(H,21,22)
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| InChIKey |
LCFTYIIQOFJNEV-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