General Information of the Compound
| Compound ID |
CP0457159
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| Compound Name |
benzyl N-[2-[3-[(3-chlorophenyl)-(4-methylpentyl)sulfamoyl]anilino]-2-oxoethyl]-N-methylcarbamate
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| Structure |
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| Formula |
C29H34ClN3O5S
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| Molecular Weight |
572.127
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| Canonical SMILES |
CC(C)CCCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
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| InChI |
InChI=1S/C29H34ClN3O5S/c1-22(2)10-9-17-33(26-15-7-13-24(30)18-26)39(36,37)27-16-8-14-25(19-27)31-28(34)20-32(3)29(35)38-21-23-11-5-4-6-12-23/h4-8,11-16,18-19,22H,9-10,17,20-21H2,1-3H3,(H,31,34)
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| InChIKey |
FHPRRTAKXFDONU-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