General Information of the Compound
| Compound ID |
CP0449228
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| Compound Name |
N-[(1-ethylpiperidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C25H32N6O2
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| Molecular Weight |
448.571
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| Canonical SMILES |
CCN1CCCCC1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C25H32N6O2/c1-2-30-14-6-5-8-20(30)17-26-25(32)31-15-12-19(13-16-31)24-28-23(29-33-24)22-11-10-18-7-3-4-9-21(18)27-22/h3-4,7,9-11,19-20H,2,5-6,8,12-17H2,1H3,(H,26,32)
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| InChIKey |
ZJJBZMRNPYYBRV-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