General Information of the Compound
| Compound ID |
CP0555004
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| Compound Name |
4-[(2R)-2-methyl-3-phenoxypropoxy]-1-(3-methylphenyl)pyridin-2-one
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| Structure |
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| Formula |
C22H23NO3
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| Molecular Weight |
349.43
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| Canonical SMILES |
C[C@H](COc1ccccc1)COc1ccn(-c2cccc(C)c2)c(=O)c1
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| InChI |
InChI=1S/C22H23NO3/c1-17-7-6-8-19(13-17)23-12-11-21(14-22(23)24)26-16-18(2)15-25-20-9-4-3-5-10-20/h3-14,18H,15-16H2,1-2H3/t18-/m1/s1
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| InChIKey |
KIHWPJLHBQPIHX-GOSISDBHSA-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