General Information of the Compound
| Compound ID |
CP0428859
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| Compound Name |
1-(5-chloro-1-benzothiophene-3-carbonyl)-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide
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| Structure |
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| Formula |
C22H20Cl2N2O2S
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| Molecular Weight |
447.387
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)c1csc2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H20Cl2N2O2S/c1-22(21(28)25(2)12-14-3-5-15(23)6-4-14)9-10-26(22)20(27)18-13-29-19-8-7-16(24)11-17(18)19/h3-8,11,13H,9-10,12H2,1-2H3
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| InChIKey |
PSFOXBDIGZMSKT-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