General Information of the Compound
| Compound ID |
CP0534016
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| Compound Name |
1-(4-chlorophenyl)-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
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| Structure |
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| Formula |
C17H20ClN3O
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| Molecular Weight |
317.82
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| Canonical SMILES |
CN(C)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C17H20ClN3O/c1-21(2)16-9-3-13(4-10-16)11-12-19-17(22)20-15-7-5-14(18)6-8-15/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
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| InChIKey |
RROGCSAVXSOHHU-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2