General Information of the Compound
| Compound ID |
CP0531233
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| Compound Name |
4-[[1-(1-benzylpiperidin-4-yl)-2-oxo-4-phenylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide
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| Formula |
C35H33N3O4
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| Molecular Weight |
559.666
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| Canonical SMILES |
ONC(=O)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(C3CCN(Cc4ccccc4)CC3)c2=O)cc1
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| InChI |
InChI=1S/C35H33N3O4/c39-34(36-41)28-17-15-26(16-18-28)24-42-33-32(27-11-5-2-6-12-27)30-13-7-8-14-31(30)38(35(33)40)29-19-21-37(22-20-29)23-25-9-3-1-4-10-25/h1-18,29,41H,19-24H2,(H,36,39)
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| InChIKey |
WHNTVWPBGIYDTK-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