General Information of the Compound
| Compound ID |
CP0474018
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| Compound Name |
1-[10-[10-[5-(diethylcarbamoyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]decyl-methylamino]decyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C63H91N7O4
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| Molecular Weight |
1010.466
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| Canonical SMILES |
CCOc1ccc(Cc2nc3cc(ccc3n2CCCCCCCCCCN(C)CCCCCCCCCCn2c(Cc3ccc(OCC)cc3)nc3cc(ccc23)C(=O)N(CC)CC)C(=O)N(CC)CC)cc1
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| InChI |
InChI=1S/C63H91N7O4/c1-8-67(9-2)62(71)52-34-40-58-56(48-52)64-60(46-50-30-36-54(37-31-50)73-12-5)69(58)44-28-24-20-16-14-18-22-26-42-66(7)43-27-23-19-15-17-21-25-29-45-70-59-41-35-53(63(72)68(10-3)11-4)49-57(59)65-61(70)47-51-32-38-55(39-33-51)74-13-6/h30-41,48-49H,8-29,42-47H2,1-7H3
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| InChIKey |
LIBFXILVWPAUSP-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