General Information of the Compound
| Compound ID |
CP0406982
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| Compound Name |
1-(3,5-dichlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
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| Structure |
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| Formula |
C21H25Cl2N3O2
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| Molecular Weight |
422.356
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c1
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| InChI |
InChI=1S/C21H25Cl2N3O2/c22-16-13-17(23)15-19(14-16)25-21(27)24-18-5-7-20(8-6-18)28-12-4-11-26-9-2-1-3-10-26/h5-8,13-15H,1-4,9-12H2,(H2,24,25,27)
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| InChIKey |
KNEPUUPQUYRNID-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: PT01194, Histamine H3 receptor
Protein ID: PT00577, Histamine receptor H3