General Information of the Compound
| Compound ID |
CP0414609
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| Compound Name |
1-(3,4-dichlorophenyl)-3-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]urea
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| Structure |
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| Formula |
C22H20Cl2N4O
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| Molecular Weight |
427.335
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| Canonical SMILES |
Clc1ccc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc1Cl
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| InChI |
InChI=1S/C22H20Cl2N4O/c23-18-10-9-17(14-19(18)24)26-22(29)25-16-6-3-5-15(13-16)20-7-4-8-21(27-20)28-11-1-2-12-28/h3-10,13-14H,1-2,11-12H2,(H2,25,26,29)
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| InChIKey |
NWCZTJUYWYAZKW-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