General Information of the Compound
| Compound ID |
CP0866033
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| Compound Name |
rac-Methyl 4-(Biphenyl-4-yl)-7-ethyl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
CCC1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC)C2c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C26H27NO3/c1-4-17-14-21-25(22(28)15-17)24(23(16(2)27-21)26(29)30-3)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,24,27H,4,14-15H2,1-3H3
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| InChIKey |
CFGVSMCXBNOUBB-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