General Information of the Compound
| Compound ID |
CP0417916
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| Compound Name |
2-[(4-ethoxyphenyl)methyl]-N-[10-[10-[[2-[(4-ethoxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carbonyl]amino]decyl-methylamino]decyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C65H95N7O4
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| Molecular Weight |
1038.52
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCCCCCCCCCN(C)CCCCCCCCCCNC(=O)c2ccc3n(CCC(C)C)c(Cc4ccc(OCC)cc4)nc3c2)cc1
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| InChI |
InChI=1S/C65H95N7O4/c1-8-75-56-32-26-52(27-33-56)46-62-68-58-48-54(30-36-60(58)71(62)44-38-50(3)4)64(73)66-40-22-18-14-10-12-16-20-24-42-70(7)43-25-21-17-13-11-15-19-23-41-67-65(74)55-31-37-61-59(49-55)69-63(72(61)45-39-51(5)6)47-53-28-34-57(35-29-53)76-9-2/h26-37,48-51H,8-25,38-47H2,1-7H3,(H,66,73)(H,67,74)
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| InChIKey |
PGYGYIVEQQZKCJ-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