General Information of the Compound
| Compound ID |
CP0372729
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| Compound Name |
benzyl N-[2-[3-[(3-chlorophenyl)-[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]anilino]-2-oxoethyl]-N-methylcarbamate
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| Structure |
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| Formula |
C28H31ClN4O6S
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| Molecular Weight |
587.098
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| Canonical SMILES |
CC(C)NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
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| InChI |
InChI=1S/C28H31ClN4O6S/c1-20(2)30-27(35)18-33(24-13-7-11-22(29)15-24)40(37,38)25-14-8-12-23(16-25)31-26(34)17-32(3)28(36)39-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H,30,35)(H,31,34)
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| InChIKey |
DYFRVDHUQASANK-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