General Information of the Compound
| Compound ID |
CP0398432
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| Compound Name |
1-[2-(1-benzothiophen-3-yl)acetyl]-N-[(4-chlorophenyl)methyl]-2-methyl-N-[3-(methylsulfamoyl)propyl]azetidine-2-carboxamide
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| Structure |
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| Formula |
C26H30ClN3O4S2
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| Molecular Weight |
548.13
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| Canonical SMILES |
CNS(=O)(=O)CCCN(Cc1ccc(Cl)cc1)C(=O)C1(C)CCN1C(=O)Cc1csc2ccccc12
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| InChI |
InChI=1S/C26H30ClN3O4S2/c1-26(12-14-30(26)24(31)16-20-18-35-23-7-4-3-6-22(20)23)25(32)29(13-5-15-36(33,34)28-2)17-19-8-10-21(27)11-9-19/h3-4,6-11,18,28H,5,12-17H2,1-2H3
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| InChIKey |
DMUXQODQMSAVEP-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