General Information of the Compound
| Compound ID |
CP0540006
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| Compound Name |
(2S)-1-benzyl-5-oxo-N-[[4-[(4-sulfamoylphenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H27N3O5S
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| Molecular Weight |
493.585
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| Canonical SMILES |
NS(=O)(=O)c1ccc(COc2ccc(CNC(=O)[C@@H]3CCC(=O)N3Cc3ccccc3)cc2)cc1
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| InChI |
InChI=1S/C26H27N3O5S/c27-35(32,33)23-12-8-21(9-13-23)18-34-22-10-6-19(7-11-22)16-28-26(31)24-14-15-25(30)29(24)17-20-4-2-1-3-5-20/h1-13,24H,14-18H2,(H,28,31)(H2,27,32,33)/t24-/m0/s1
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| InChIKey |
OGRXLVJUXOORAU-DEOSSOPVSA-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