General Information of the Compound
| Compound ID |
CP0918260
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| Compound Name |
rac-Isobutyl 4-(Biphenyl-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C29H33NO3
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| Molecular Weight |
443.587
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| Canonical SMILES |
CC1=C(C(=O)OCC(C)C)C(c2ccc(-c3ccccc3)cc2)C2=C(CC(C)(C)CC2=O)N1
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| InChI |
InChI=1S/C29H33NO3/c1-18(2)17-33-28(32)25-19(3)30-23-15-29(4,5)16-24(31)27(23)26(25)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-14,18,26,30H,15-17H2,1-5H3
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| InChIKey |
WYHUPOLWGOCERL-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