General Information of the Compound
| Compound ID |
CP0911676
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| Compound Name |
rac-Methyl 4-(4-(1H-Indol-5-yl)phenyl)-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 |
C28H28N2O3
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| Molecular Weight |
440.543
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(-c2ccc3[nH]ccc3c2)cc1
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| InChI |
InChI=1S/C28H28N2O3/c1-16-24(27(32)33-4)25(26-22(30-16)14-28(2,3)15-23(26)31)18-7-5-17(6-8-18)19-9-10-21-20(13-19)11-12-29-21/h5-13,25,29-30H,14-15H2,1-4H3
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| InChIKey |
HLQZNQPLNSTBCI-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