General Information of the Compound
| Compound ID |
CP0460114
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid biphenyl-2-yl-(3-dimethylamino-propyl)-amide
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| Structure |
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| Formula |
C26H26N2OS
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| Molecular Weight |
414.574
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| Canonical SMILES |
CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C26H26N2OS/c1-27(2)17-10-18-28(26(29)25-19-21-13-6-9-16-24(21)30-25)23-15-8-7-14-22(23)20-11-4-3-5-12-20/h3-9,11-16,19H,10,17-18H2,1-2H3
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| InChIKey |
GHUTYPGQRRMOHK-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