General Information of the Compound
| Compound ID |
CP0459037
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| Compound Name |
(4-ethoxy-4-oxobutan-2-yl) 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carboxylate
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| Structure |
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| Formula |
C31H45NO6
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| Molecular Weight |
527.702
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| Canonical SMILES |
CCOC(=O)CC(C)OC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C31H45NO6/c1-10-31(11-2,23-14-16-25(21(5)18-23)37-20-27(33)30(7,8)9)26-17-15-24(32(26)12-3)29(35)38-22(6)19-28(34)36-13-4/h14-18,22H,10-13,19-20H2,1-9H3
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| InChIKey |
YKUPUOQYIDHYBE-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