General Information of the Compound
| Compound ID |
CP0193892
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| Compound Name |
2,4,4-trimethylpentyl 4-[2-(methoxymethoxy)-3-phenylphenyl]benzoate
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| Structure |
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| Formula |
C29H34O4
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| Molecular Weight |
446.587
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| Canonical SMILES |
COCOc1c(cccc1-c1ccc(cc1)C(=O)OCC(C)CC(C)(C)C)-c1ccccc1
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| InChI |
InChI=1S/C29H34O4/c1-21(18-29(2,3)4)19-32-28(30)24-16-14-23(15-17-24)26-13-9-12-25(27(26)33-20-31-5)22-10-7-6-8-11-22/h6-17,21H,18-20H2,1-5H3
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| InChIKey |
XZCBWCFFMKCRKN-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