General Information of the Compound
| Compound ID |
CP0542161
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| Compound Name |
1-(1-benzothiophene-2-carbonyl)-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide
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| Structure |
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| Formula |
C22H21ClN2O2S
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| Molecular Weight |
412.942
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)c1cc2ccccc2s1
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| InChI |
InChI=1S/C22H21ClN2O2S/c1-22(21(27)24(2)14-15-7-9-17(23)10-8-15)11-12-25(22)20(26)19-13-16-5-3-4-6-18(16)28-19/h3-10,13H,11-12,14H2,1-2H3
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| InChIKey |
HVMAQSLARBTRND-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