General Information of the Compound
| Compound ID |
CP0486223
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid (2-butyl-phenyl)-(3-dimethylamino-propyl)-amide
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| Structure |
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| Formula |
C24H30N2OS
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| Molecular Weight |
394.584
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| Canonical SMILES |
CCCCc1ccccc1N(CCCN(C)C)C(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C24H30N2OS/c1-4-5-11-19-12-6-8-14-21(19)26(17-10-16-25(2)3)24(27)23-18-20-13-7-9-15-22(20)28-23/h6-9,12-15,18H,4-5,10-11,16-17H2,1-3H3
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| InChIKey |
HAONPFQPSCVCQO-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