General Information of the Compound
| Compound ID |
CP0487533
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| Compound Name |
3-methoxy-2-methyl-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]pyridin-4-one
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| Structure |
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| Formula |
C21H28N2O3
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| Molecular Weight |
356.466
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| Canonical SMILES |
COc1c(C)n(ccc1=O)-c1ccc(OC2CCN(CC2)C(C)C)cc1
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| InChI |
InChI=1S/C21H28N2O3/c1-15(2)22-12-9-19(10-13-22)26-18-7-5-17(6-8-18)23-14-11-20(24)21(25-4)16(23)3/h5-8,11,14-15,19H,9-10,12-13H2,1-4H3
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| InChIKey |
GSEPVAQTFFYXHG-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