General Information of the Compound
| Compound ID |
CP0375900
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| Compound Name |
5-(4-chlorophenyl)-N-[11-[11-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]undecyl-methylamino]undecyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C57H69Cl6N7O2
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| Molecular Weight |
1096.944
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| Canonical SMILES |
CN(CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C57H69Cl6N7O2/c1-40-52(66-69(50-32-30-46(60)38-48(50)62)54(40)42-22-26-44(58)27-23-42)56(71)64-34-18-14-10-6-4-8-12-16-20-36-68(3)37-21-17-13-9-5-7-11-15-19-35-65-57(72)53-41(2)55(43-24-28-45(59)29-25-43)70(67-53)51-33-31-47(61)39-49(51)63/h22-33,38-39H,4-21,34-37H2,1-3H3,(H,64,71)(H,65,72)
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| InChIKey |
ROHJMIWUMPPHFT-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