General Information of the Compound
| Compound ID |
CP0546236
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| Compound Name |
benzyl N-[2-[3-[benzyl-(3-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-N-methylcarbamate
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| Structure |
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| Formula |
C30H28ClN3O5S
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| Molecular Weight |
578.09
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| Canonical SMILES |
CN(CC(=O)Nc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1cccc(Cl)c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C30H28ClN3O5S/c1-33(30(36)39-22-24-12-6-3-7-13-24)21-29(35)32-26-15-9-17-28(19-26)40(37,38)34(20-23-10-4-2-5-11-23)27-16-8-14-25(31)18-27/h2-19H,20-22H2,1H3,(H,32,35)
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| InChIKey |
ZQEHFEPJVFABJX-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