General Information of the Compound
| Compound ID |
CP0522938
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| Compound Name |
N-[2-(4-chlorophenyl)ethyl]-N-piperidin-4-yl-1-benzothiophene-3-carboxamide
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| Structure |
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| Formula |
C22H23ClN2OS
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| Molecular Weight |
398.959
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| Canonical SMILES |
Clc1ccc(CCN(C2CCNCC2)C(=O)c2csc3ccccc23)cc1
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| InChI |
InChI=1S/C22H23ClN2OS/c23-17-7-5-16(6-8-17)11-14-25(18-9-12-24-13-10-18)22(26)20-15-27-21-4-2-1-3-19(20)21/h1-8,15,18,24H,9-14H2
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| InChIKey |
UVDAHQDWBPCRAU-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