General Information of the Compound
| Compound ID |
CP0883047
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| Compound Name |
ethyl 3-isopropyl-8-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)octanoate
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| Structure |
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| Formula |
C29H38N2O2
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| Molecular Weight |
446.635
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| Canonical SMILES |
CCOC(=O)CC(CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1)C(C)C
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| InChI |
InChI=1S/C29H38N2O2/c1-5-33-27(32)21-26(22(2)3)19-13-8-14-20-31-23(4)30-28(24-15-9-6-10-16-24)29(31)25-17-11-7-12-18-25/h6-7,9-12,15-18,22,26H,5,8,13-14,19-21H2,1-4H3
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| InChIKey |
RZJZSMOCWTXXTM-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