General Information of the Compound
| Compound ID |
CP0577185
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| Compound Name |
octyl (2R,3S)-2-(naphthalen-2-ylsulfonylamino)-3-phenylbutanoate
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| Structure |
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| Formula |
C28H35NO4S
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| Molecular Weight |
481.658
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| Canonical SMILES |
CCCCCCCCOC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C28H35NO4S/c1-3-4-5-6-7-13-20-33-28(30)27(22(2)23-14-9-8-10-15-23)29-34(31,32)26-19-18-24-16-11-12-17-25(24)21-26/h8-12,14-19,21-22,27,29H,3-7,13,20H2,1-2H3/t22-,27+/m0/s1
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| InChIKey |
CFMKDCIGAAMXLK-WXVAWEFUSA-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