General Information of the Compound
| Compound ID |
CP0372787
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| Compound Name |
3-(4-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)quinoline
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| Structure |
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| Formula |
C21H19N5O
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| Molecular Weight |
357.417
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| Canonical SMILES |
C1CN(CCC1c1nc(no1)-c1ccncc1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C21H19N5O/c1-2-4-19-17(3-1)13-18(14-23-19)26-11-7-16(8-12-26)21-24-20(25-27-21)15-5-9-22-10-6-15/h1-6,9-10,13-14,16H,7-8,11-12H2
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| InChIKey |
BDKJSUBPXCXIJD-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