General Information of the Compound
| Compound ID |
CP0315597
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| Compound Name |
2-ethyl-3-methoxy-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridin-4-one
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| Structure |
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| Formula |
C21H28N2O3
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| Molecular Weight |
356.466
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| Canonical SMILES |
CCc1c(OC)c(=O)ccn1-c1ccc(OCCCN2CCCC2)cc1
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| InChI |
InChI=1S/C21H28N2O3/c1-3-19-21(25-2)20(24)11-15-23(19)17-7-9-18(10-8-17)26-16-6-14-22-12-4-5-13-22/h7-11,15H,3-6,12-14,16H2,1-2H3
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| InChIKey |
FYTKNYOZVSRJIL-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