General Information of the Compound
| Compound ID |
CP0865572
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| Compound Name |
rac-Methyl 2,7,7-Trimethyl-5-oxo-4-(3-(pyridin-3-yl)phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C25H26N2O3
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| Molecular Weight |
402.494
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| Canonical SMILES |
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc(-c2cccnc2)c1
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| InChI |
InChI=1S/C25H26N2O3/c1-15-21(24(29)30-4)22(23-19(27-15)12-25(2,3)13-20(23)28)17-8-5-7-16(11-17)18-9-6-10-26-14-18/h5-11,14,22,27H,12-13H2,1-4H3
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| InChIKey |
RXEKPKXECFTNJR-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