General Information of the Compound
Compound ID |
CP0382947
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Compound Name |
4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Structure |
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Formula |
C26H28N2O2
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Molecular Weight |
400.522
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Canonical SMILES |
CCc1ccc(cc1)C1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
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InChI |
InChI=1S/C26H28N2O2/c1-4-18-12-14-19(15-13-18)24-23(26(30)28-20-9-6-5-8-16(20)2)17(3)27-21-10-7-11-22(29)25(21)24/h5-6,8-9,12-15,24,27H,4,7,10-11H2,1-3H3,(H,28,30)
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InChIKey |
VJEHNGRJRSDSME-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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