General Information of the Compound
| Compound ID |
CP0380162
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| Compound Name |
1-(2,4-difluorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
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| Structure |
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| Formula |
C21H25F2N3O2
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| Molecular Weight |
389.446
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1
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| InChI |
InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)
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| InChIKey |
YOHPTBKDVIHOCX-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