General Information of the Compound
| Compound ID |
CP0378460
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| Compound Name |
2-[(3,4-dimethylphenyl)methyl]-3-[2-(3-fluoro-4-methanesulfonamidophenyl)-2-methylpropanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C28H39FN2O5S
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| Molecular Weight |
534.694
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| Canonical SMILES |
Cc1ccc(CC(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
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| InChI |
InChI=1S/C28H39FN2O5S/c1-18-9-10-20(13-19(18)2)14-21(17-36-26(33)27(3,4)5)16-30-25(32)28(6,7)22-11-12-24(23(29)15-22)31-37(8,34)35/h9-13,15,21,31H,14,16-17H2,1-8H3,(H,30,32)
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| InChIKey |
FOJDWLDFVVPKDW-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