General Information of the Compound
| Compound ID |
CP0526596
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| Compound Name |
N-benzyl-N-[2-(4-chlorophenyl)ethyl]-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C24H20ClNOS
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| Molecular Weight |
405.95
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| Canonical SMILES |
Clc1ccc(CCN(Cc2ccccc2)C(=O)c2csc3ccccc23)cc1
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| InChI |
InChI=1S/C24H20ClNOS/c25-20-12-10-18(11-13-20)14-15-26(16-19-6-2-1-3-7-19)24(27)22-17-28-23-9-5-4-8-21(22)23/h1-13,17H,14-16H2
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| InChIKey |
POBIMKSAFWBWJM-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