General Information of the Compound
| Compound ID |
CP0380117
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| Compound Name |
1-(3,5-dichloro-4-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
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| Structure |
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| Formula |
C22H27Cl2N3O2
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| Molecular Weight |
436.383
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| Canonical SMILES |
Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl
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| InChI |
InChI=1S/C22H27Cl2N3O2/c1-16-20(23)14-18(15-21(16)24)26-22(28)25-17-6-8-19(9-7-17)29-13-5-12-27-10-3-2-4-11-27/h6-9,14-15H,2-5,10-13H2,1H3,(H2,25,26,28)
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| InChIKey |
MHCPZQVCEMWMCX-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: PT01173, Histamine H3 receptor
Protein ID: PT00577, Histamine receptor H3