General Information of the Compound
| Compound ID |
CP0493319
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| Compound Name |
2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C29H42N2O5S
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| Molecular Weight |
530.731
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| Canonical SMILES |
CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C29H42N2O5S/c1-20(23-11-15-25(16-12-23)31-37(8,34)35)26(32)30-18-22(19-36-27(33)29(5,6)7)17-21-9-13-24(14-10-21)28(2,3)4/h9-16,20,22,31H,17-19H2,1-8H3,(H,30,32)
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| InChIKey |
FCEIDPNJEFCNEY-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