General Information of the Compound
| Compound ID |
CP0428860
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| Compound Name |
1-[2-(1-benzothiophen-7-yl)acetyl]-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide
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| Structure |
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| Formula |
C23H23ClN2O2S
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| Molecular Weight |
426.969
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1cccc2ccsc12
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| InChI |
InChI=1S/C23H23ClN2O2S/c1-23(22(28)25(2)15-16-6-8-19(24)9-7-16)11-12-26(23)20(27)14-18-5-3-4-17-10-13-29-21(17)18/h3-10,13H,11-12,14-15H2,1-2H3
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| InChIKey |
HSJUMKPLDBFKQM-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