General Information of the Compound
| Compound ID |
CP0135915
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| Compound Name |
1-(6-(2-methoxyphenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
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| Structure |
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| Formula |
C22H30N4O2
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| Molecular Weight |
382.508
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| Canonical SMILES |
COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1
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| InChI |
InChI=1S/C22H30N4O2/c1-28-21-10-4-3-9-19(21)20-12-11-18(17-24-20)25-22(27)23-13-5-8-16-26-14-6-2-7-15-26/h3-4,9-12,17H,2,5-8,13-16H2,1H3,(H2,23,25,27)
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| InChIKey |
HCBWAWNFHVHMOV-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