General Information of the Compound
| Compound ID |
CP0253152
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid (3-dimethylamino-propyl)-(2-phenethyl-phenyl)-amide
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| Structure |
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| Formula |
C28H30N2OS
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| Molecular Weight |
442.628
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| Canonical SMILES |
CN(C)CCCN(C(=O)c1cc2ccccc2s1)c1ccccc1CCc1ccccc1
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| InChI |
InChI=1S/C28H30N2OS/c1-29(2)19-10-20-30(28(31)27-21-24-14-7-9-16-26(24)32-27)25-15-8-6-13-23(25)18-17-22-11-4-3-5-12-22/h3-9,11-16,21H,10,17-20H2,1-2H3
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| InChIKey |
CPGCFTITHHPMEY-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