General Information of the Compound
| Compound ID |
CP0135708
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| Compound Name |
1-(4-(6-fluoropyridin-3-yl)phenyl)-3-(4-(piperidin-1-yl)butyl)urea
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| Structure |
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| Formula |
C21H27FN4O
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| Molecular Weight |
370.472
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| Canonical SMILES |
Fc1ccc(cn1)-c1ccc(NC(=O)NCCCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C21H27FN4O/c22-20-11-8-18(16-24-20)17-6-9-19(10-7-17)25-21(27)23-12-2-5-15-26-13-3-1-4-14-26/h6-11,16H,1-5,12-15H2,(H2,23,25,27)
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| InChIKey |
UPVXJFQSDLKQRB-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