General Information of the Compound
| Compound ID |
CP0380959
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| Compound Name |
7-(3-methoxypropoxy)-4-(1-phenylpyrazol-4-yl)quinoline
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
COCCCOc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1
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| InChI |
InChI=1S/C22H21N3O2/c1-26-12-5-13-27-19-8-9-21-20(10-11-23-22(21)14-19)17-15-24-25(16-17)18-6-3-2-4-7-18/h2-4,6-11,14-16H,5,12-13H2,1H3
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| InChIKey |
PNPFEXKCCVABSY-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