General Information of the Compound
| Compound ID |
CP0469450
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| Compound Name |
1-(3-methylphenyl)-4-[(2R)-2-phenoxypropoxy]pyridin-2-one
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
C[C@H](COc1ccn(-c2cccc(C)c2)c(=O)c1)Oc1ccccc1
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| InChI |
InChI=1S/C21H21NO3/c1-16-7-6-8-18(13-16)22-12-11-20(14-21(22)23)24-15-17(2)25-19-9-4-3-5-10-19/h3-14,17H,15H2,1-2H3/t17-/m1/s1
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| InChIKey |
JKJARKIDDGDMGJ-QGZVFWFLSA-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