General Information of the Compound
| Compound ID |
CP0885519
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| Compound Name |
rac-Methyl 4-(Biphenyl-4-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C30H27NO3
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| Molecular Weight |
449.55
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C30H27NO3/c1-19-27(30(33)34-2)28(23-15-13-22(14-16-23)20-9-5-3-6-10-20)29-25(31-19)17-24(18-26(29)32)21-11-7-4-8-12-21/h3-16,24,28,31H,17-18H2,1-2H3
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| InChIKey |
SQSABQNRVFVKDA-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