General Information of the Compound
| Compound ID |
CP0538739
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| Compound Name |
1-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-4-methylquinolin-2-one
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
Cc1cc(=O)n(Cc2nc3ccccc3n2CCCCO)c2ccccc12
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| InChI |
InChI=1S/C22H23N3O2/c1-16-14-22(27)25(19-10-4-2-8-17(16)19)15-21-23-18-9-3-5-11-20(18)24(21)12-6-7-13-26/h2-5,8-11,14,26H,6-7,12-13,15H2,1H3
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| InChIKey |
DHNKOQROFNNYLW-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