General Information of the Compound
| Compound ID |
CP0066093
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| Compound Name |
1-(2,2'-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl)urea
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| Structure |
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| Formula |
C20H27N5O
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| Molecular Weight |
353.47
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| Canonical SMILES |
O=C(NCCCCN1CCCCC1)Nc1ccc(nc1)-c1ccccn1
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| InChI |
InChI=1S/C20H27N5O/c26-20(22-12-4-7-15-25-13-5-1-6-14-25)24-17-9-10-19(23-16-17)18-8-2-3-11-21-18/h2-3,8-11,16H,1,4-7,12-15H2,(H2,22,24,26)
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| InChIKey |
SLMFOVKWAUVQPC-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
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7