General Information of the Compound
| Compound ID |
CP0885522
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| Compound Name |
rac-Ethyl 4-(Biphenyl-4-yl)-7,7-dimethyl-5-oxo-2-(n-propyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C29H33NO3
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| Molecular Weight |
443.587
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| Canonical SMILES |
CCCC1=C(C(=O)OCC)C(c2ccc(-c3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1
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| InChI |
InChI=1S/C29H33NO3/c1-5-10-22-27(28(32)33-6-2)25(26-23(30-22)17-29(3,4)18-24(26)31)21-15-13-20(14-16-21)19-11-8-7-9-12-19/h7-9,11-16,25,30H,5-6,10,17-18H2,1-4H3
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| InChIKey |
YITMUJBUDRUIOZ-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