General Information of the Compound
| Compound ID |
CP0902350
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| Compound Name |
rac-Methyl 4-(Biphenyl-4-yl)-7-isobutyl-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C28H31NO3
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| Molecular Weight |
429.56
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(CC(C)C)C2)C1c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H31NO3/c1-17(2)14-19-15-23-27(24(30)16-19)26(25(18(3)29-23)28(31)32-4)22-12-10-21(11-13-22)20-8-6-5-7-9-20/h5-13,17,19,26,29H,14-16H2,1-4H3
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| InChIKey |
RTOJCKNSHFUOTQ-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