General Information of the Compound
| Compound ID |
CP0397642
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfanyl-phenyl)-(4-dimethylamino-butyl)-amide
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| Structure |
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| Formula |
C28H30N2OS2
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| Molecular Weight |
474.695
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| Canonical SMILES |
CN(C)CCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
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| InChI |
InChI=1S/C28H30N2OS2/c1-29(2)18-10-11-19-30(28(31)27-20-23-14-6-8-16-25(23)33-27)24-15-7-9-17-26(24)32-21-22-12-4-3-5-13-22/h3-9,12-17,20H,10-11,18-19,21H2,1-2H3
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| InChIKey |
YPKZZQXDAZSUPY-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