General Information of the Compound
| Compound ID |
CP0888623
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| Compound Name |
rac-Isobutyl 4-(4-tert-Butylphenyl)-2-methyl-5-oxo-7-(n-propyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C28H39NO3
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| Molecular Weight |
437.624
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| Canonical SMILES |
CCCC1CC(=O)C2=C(C1)NC(C)=C(C(=O)OCC(C)C)C2c1ccc(C(C)(C)C)cc1
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| InChI |
InChI=1S/C28H39NO3/c1-8-9-19-14-22-26(23(30)15-19)25(20-10-12-21(13-11-20)28(5,6)7)24(18(4)29-22)27(31)32-16-17(2)3/h10-13,17,19,25,29H,8-9,14-16H2,1-7H3
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| InChIKey |
HWCOMYJNKKDJOK-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