General Information of the Compound
| Compound ID |
CP0487534
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| Compound Name |
3-methoxy-2-methyl-1-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyridin-4-one
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| Formula |
C21H27N3O3
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| Molecular Weight |
369.465
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| Canonical SMILES |
COc1c(C)n(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C21H27N3O3/c1-15(2)22-11-13-23(14-12-22)21(26)17-5-7-18(8-6-17)24-10-9-19(25)20(27-4)16(24)3/h5-10,15H,11-14H2,1-4H3
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| InChIKey |
PDUYBHYJZHGNET-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