General Information of the Compound
| Compound ID |
CP0492033
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| Compound Name |
N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
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| Structure |
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| Formula |
C24H22N6O2
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| Molecular Weight |
426.48
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| Canonical SMILES |
COc1ccccc1-c1ccc2ncc(-c3nnco3)c(NCCCn3ccnc3)c2c1
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| InChI |
InChI=1S/C24H22N6O2/c1-31-22-6-3-2-5-18(22)17-7-8-21-19(13-17)23(20(14-27-21)24-29-28-16-32-24)26-9-4-11-30-12-10-25-15-30/h2-3,5-8,10,12-16H,4,9,11H2,1H3,(H,26,27)
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| InChIKey |
PZMRDXXERDRTRT-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