General Information of the Compound
| Compound ID |
CP0426094
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| Compound Name |
1-(4-chlorophenyl)-3-[5-(4-fluorophenyl)thiophen-2-yl]urea
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| Structure |
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| Formula |
C17H12ClFN2OS
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| Molecular Weight |
346.814
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| Canonical SMILES |
Fc1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C17H12ClFN2OS/c18-12-3-7-14(8-4-12)20-17(22)21-16-10-9-15(23-16)11-1-5-13(19)6-2-11/h1-10H,(H2,20,21,22)
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| InChIKey |
XVBHHFXDEUBMSN-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