General Information of the Compound
| Compound ID |
CP0911677
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| Compound Name |
rac-Methyl 2,7,7-Trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C20H23NO3
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| Molecular Weight |
325.408
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccc1
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| InChI |
InChI=1S/C20H23NO3/c1-12-16(19(23)24-4)17(13-8-6-5-7-9-13)18-14(21-12)10-20(2,3)11-15(18)22/h5-9,17,21H,10-11H2,1-4H3
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| InChIKey |
QVQKQVCVNNTYJF-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