General Information of the Compound
| Compound ID |
CP0269311
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| Compound Name |
1-(4-Piperidin-1-ylbutyl)-3-(4-pyridin-2-ylphenyl)urea
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1ccccn1
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| InChI |
InChI=1S/C21H28N4O/c26-21(23-14-4-7-17-25-15-5-1-6-16-25)24-19-11-9-18(10-12-19)20-8-2-3-13-22-20/h2-3,8-13H,1,4-7,14-17H2,(H2,23,24,26)
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| InChIKey |
MMXFWZCBTFHARB-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