General Information of the Compound
| Compound ID |
CP0530364
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid (2-benzylsulfanyl-phenyl)-(3-methylamino-propyl)-amide
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| Structure |
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| Formula |
C26H26N2OS2
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| Molecular Weight |
446.641
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| Canonical SMILES |
CNCCCN(C(=O)c1cc2ccccc2s1)c1ccccc1SCc1ccccc1
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| InChI |
InChI=1S/C26H26N2OS2/c1-27-16-9-17-28(26(29)25-18-21-12-5-7-14-23(21)31-25)22-13-6-8-15-24(22)30-19-20-10-3-2-4-11-20/h2-8,10-15,18,27H,9,16-17,19H2,1H3
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| InChIKey |
ADUPCOZSFKRFSY-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