General Information of the Compound
| Compound ID |
CP0054246
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| Compound Name |
3-Chloro-benzo[b]thiophene-2-carboxylic acid (2-benzylsulfanyl-phenyl)-(3-dimethylamino-propyl)-amide
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| Structure |
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| Formula |
C27H27ClN2OS2
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| Molecular Weight |
495.113
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| Canonical SMILES |
CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1SCc1ccccc1
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| InChI |
InChI=1S/C27H27ClN2OS2/c1-29(2)17-10-18-30(27(31)26-25(28)21-13-6-8-15-23(21)33-26)22-14-7-9-16-24(22)32-19-20-11-4-3-5-12-20/h3-9,11-16H,10,17-19H2,1-2H3
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| InChIKey |
ZUAPVLUALHYVIF-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