General Information of the Compound
| Compound ID |
CP0421533
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| Compound Name |
1-(4-chlorophenyl)-3-[5-(3,5-dichlorophenyl)thiophen-2-yl]urea
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| Structure |
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| Formula |
C17H11Cl3N2OS
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| Molecular Weight |
397.714
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ccc(s2)-c2cc(Cl)cc(Cl)c2)cc1
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| InChI |
InChI=1S/C17H11Cl3N2OS/c18-11-1-3-14(4-2-11)21-17(23)22-16-6-5-15(24-16)10-7-12(19)9-13(20)8-10/h1-9H,(H2,21,22,23)
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| InChIKey |
XFOCMFZFOPJMOP-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