General Information of the Compound
| Compound ID |
CP0156498
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| Compound Name |
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
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| Structure |
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| Formula |
C22H26N6O3
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| Molecular Weight |
422.489
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCNC(=O)c2nc(no2)-c2cccnc2)CC1
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| InChI |
InChI=1S/C22H26N6O3/c1-30-19-8-3-2-7-18(19)28-14-12-27(13-15-28)11-5-10-24-21(29)22-25-20(26-31-22)17-6-4-9-23-16-17/h2-4,6-9,16H,5,10-15H2,1H3,(H,24,29)
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| InChIKey |
WQYYMPPWOSESOT-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