General Information of the Compound
| Compound ID |
CP0905444
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| Compound Name |
rac-Ethyl 2-Ethyl-7,7-dimethyl-5-oxo-4-(4-(pyridin-2-yl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C27H30N2O3
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| Molecular Weight |
430.548
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| Canonical SMILES |
CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccccn2)cc1
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| InChI |
InChI=1S/C27H30N2O3/c1-5-19-25(26(31)32-6-2)23(24-21(29-19)15-27(3,4)16-22(24)30)18-12-10-17(11-13-18)20-9-7-8-14-28-20/h7-14,23,29H,5-6,15-16H2,1-4H3
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| InChIKey |
ARACGEWDWSGCLO-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