General Information of the Compound
| Compound ID |
CP0426521
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| Compound Name |
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
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| Structure |
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| Formula |
C55H76Cl2F3N3O17S
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| Molecular Weight |
1211.184
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| Canonical SMILES |
OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(cc2c(NC3CCN(CC3)S(=O)(=O)C(F)(F)F)ccnc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C55H76Cl2F3N3O17S/c56-46-5-1-43(2-6-46)53(44-3-7-47(57)8-4-44)45-41-49-50(62-48-10-14-63(15-11-48)81(66,67)55(58,59)60)9-13-61-54(49)51(42-45)80-40-39-79-38-37-78-36-35-77-34-33-76-32-31-75-30-29-74-28-27-73-26-25-72-24-23-71-22-21-70-20-19-69-18-17-68-16-12-52(64)65/h1-9,13,41-42,48,53H,10-12,14-40H2,(H,61,62)(H,64,65)
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| InChIKey |
LAZPBWIPTQDNQW-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