General Information of the Compound
| Compound ID |
CP0496625
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| Compound Name |
2-(4-tert-Butylbenzyl)-3-[2-(4-acetoxy-2-iodo-5-methoxyphenyl)acetamido]propyl pivalate
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| Structure |
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| Formula |
C30H40INO6
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| Molecular Weight |
637.555
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| Canonical SMILES |
COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)c(I)cc1OC(C)=O
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| InChI |
InChI=1S/C30H40INO6/c1-19(33)38-26-16-24(31)22(14-25(26)36-8)15-27(34)32-17-21(18-37-28(35)30(5,6)7)13-20-9-11-23(12-10-20)29(2,3)4/h9-12,14,16,21H,13,15,17-18H2,1-8H3,(H,32,34)
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| InChIKey |
WPPHCGZXCVXMCS-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