General Information of the Compound
| Compound ID |
CP0902349
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| Compound Name |
rac-Methyl 4-(Biphenyl-4-yl)-7-isopropyl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C27H29NO3
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| Molecular Weight |
415.533
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C(C)C)C2)C1c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C27H29NO3/c1-16(2)21-14-22-26(23(29)15-21)25(24(17(3)28-22)27(30)31-4)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,16,21,25,28H,14-15H2,1-4H3
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| InChIKey |
YXNVYDRRFSHTBA-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