General Information of the Compound
| Compound ID |
CP0531183
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| Compound Name |
4-(4-fluorobenzyloxy)-1-(3-(2-(pyrrolidin-1-yl)ethoxy)benzyl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C25H27FN2O3
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| Molecular Weight |
422.5
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| Canonical SMILES |
Fc1ccc(COc2ccn(Cc3cccc(OCCN4CCCC4)c3)c(=O)c2)cc1
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| InChI |
InChI=1S/C25H27FN2O3/c26-22-8-6-20(7-9-22)19-31-24-10-13-28(25(29)17-24)18-21-4-3-5-23(16-21)30-15-14-27-11-1-2-12-27/h3-10,13,16-17H,1-2,11-12,14-15,18-19H2
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| InChIKey |
OSPOQVAMMNQZQR-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