General Information of the Compound
| Compound ID |
CP0865574
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| Compound Name |
rac-Methyl 2,7,7-Trimethyl-5-oxo-4-(4'-(trifluoromethyl)biphenyl-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C27H26F3NO3
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| Molecular Weight |
469.503
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C27H26F3NO3/c1-15-22(25(33)34-4)23(24-20(31-15)13-26(2,3)14-21(24)32)18-7-5-16(6-8-18)17-9-11-19(12-10-17)27(28,29)30/h5-12,23,31H,13-14H2,1-4H3
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| InChIKey |
HBPBDXCRQNUJKK-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