General Information of the Compound
| Compound ID |
CP0425796
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| Compound Name |
2-(4-tert-Butylbenzyl)-3-[2-(2-bromo-4-methanesulfonylamino-5-methoxyphenyl)acetamido]-propyl pivalate
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| Structure |
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| Formula |
C29H41BrN2O6S
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| Molecular Weight |
625.626
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| Canonical SMILES |
COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)c(Br)cc1NS(C)(=O)=O
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| InChI |
InChI=1S/C29H41BrN2O6S/c1-28(2,3)22-11-9-19(10-12-22)13-20(18-38-27(34)29(4,5)6)17-31-26(33)15-21-14-25(37-7)24(16-23(21)30)32-39(8,35)36/h9-12,14,16,20,32H,13,15,17-18H2,1-8H3,(H,31,33)
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| InChIKey |
ZWQUIHRYWFHBIK-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