General Information of the Compound
| Compound ID |
CP0419122
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| Compound Name |
4-(4-fluorobenzyloxy)-1-(4-((isobutyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C28H35FN2O2
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| Molecular Weight |
450.598
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| Canonical SMILES |
CCCN(CC(C)C)Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1
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| InChI |
InChI=1S/C28H35FN2O2/c1-4-15-30(19-22(2)3)20-24-7-5-23(6-8-24)13-16-31-17-14-27(18-28(31)32)33-21-25-9-11-26(29)12-10-25/h5-12,14,17-18,22H,4,13,15-16,19-21H2,1-3H3
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| InChIKey |
JMLRNWMIXJECGB-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