General Information of the Compound
| Compound ID |
CP0398852
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| Compound Name |
1-[3-(6-pyrrolidin-1-ylpyridin-2-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
COc1cc(NC(=O)Nc2cccc(c2)-c2cccc(n2)N2CCCC2)cc(OC)c1OC
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| InChI |
InChI=1S/C25H28N4O4/c1-31-21-15-19(16-22(32-2)24(21)33-3)27-25(30)26-18-9-6-8-17(14-18)20-10-7-11-23(28-20)29-12-4-5-13-29/h6-11,14-16H,4-5,12-13H2,1-3H3,(H2,26,27,30)
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| InChIKey |
WGHYZMUZGXWEMW-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