General Information of the Compound
| Compound ID |
CP0480708
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-N-[3-[3-[[2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carbonyl]amino]propyl-methylamino]propyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C51H67N7O4
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| Molecular Weight |
842.142
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCN(C)CCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
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| InChI |
InChI=1S/C51H67N7O4/c1-8-61-42-18-12-38(13-19-42)32-48-54-44-34-40(16-22-46(44)57(48)30-24-36(3)4)50(59)52-26-10-28-56(7)29-11-27-53-51(60)41-17-23-47-45(35-41)55-49(58(47)31-25-37(5)6)33-39-14-20-43(21-15-39)62-9-2/h12-23,34-37H,8-11,24-33H2,1-7H3,(H,52,59)(H,53,60)
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| InChIKey |
QGOXBMXBECDKRP-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