General Information of the Compound
| Compound ID |
CP0398391
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| Compound Name |
1-[3-(1-benzothiophen-3-yl)propanoyl]-N-[(4-chlorophenyl)methyl]-N,2-dimethylazetidine-2-carboxamide
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| Structure |
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| Formula |
C24H25ClN2O2S
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| Molecular Weight |
440.996
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| Canonical SMILES |
CN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)CCc1csc2ccccc12
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| InChI |
InChI=1S/C24H25ClN2O2S/c1-24(23(29)26(2)15-17-7-10-19(25)11-8-17)13-14-27(24)22(28)12-9-18-16-30-21-6-4-3-5-20(18)21/h3-8,10-11,16H,9,12-15H2,1-2H3
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| InChIKey |
OLUPBAHKDFMXQW-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