General Information of the Compound
| Compound ID |
CP0135706
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| Compound Name |
1-(6'-fluoro-2,3'-bipyridin-5-yl)-3-(4-(piperidin-1-yl)butyl)urea
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| Structure |
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| Formula |
C20H26FN5O
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| Molecular Weight |
371.46
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| Canonical SMILES |
Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
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| InChI |
InChI=1S/C20H26FN5O/c21-19-9-6-16(14-24-19)18-8-7-17(15-23-18)25-20(27)22-10-2-5-13-26-11-3-1-4-12-26/h6-9,14-15H,1-5,10-13H2,(H2,22,25,27)
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| InChIKey |
DFBQTBNRGSIKHN-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