General Information of the Compound
| Compound ID |
CP0535230
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| Compound Name |
1-(4-((cyclopentyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
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| Structure |
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| Formula |
C29H35FN2O2
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| Molecular Weight |
462.609
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| Canonical SMILES |
CCCN(Cc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1)C1CCCC1
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| InChI |
InChI=1S/C29H35FN2O2/c1-2-17-32(27-5-3-4-6-27)21-24-9-7-23(8-10-24)15-18-31-19-16-28(20-29(31)33)34-22-25-11-13-26(30)14-12-25/h7-14,16,19-20,27H,2-6,15,17-18,21-22H2,1H3
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| InChIKey |
BOARZXXEVHEYOO-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