General Information of the Compound
| Compound ID |
CP0374244
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| Compound Name |
5-(4-chlorophenyl)-N-[11-[11-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]undecylamino]undecyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C56H67Cl6N7O2
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| Molecular Weight |
1082.917
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCCCNCCCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C56H67Cl6N7O2/c1-39-51(66-68(49-31-29-45(59)37-47(49)61)53(39)41-21-25-43(57)26-22-41)55(70)64-35-19-15-11-7-3-5-9-13-17-33-63-34-18-14-10-6-4-8-12-16-20-36-65-56(71)52-40(2)54(42-23-27-44(58)28-24-42)69(67-52)50-32-30-46(60)38-48(50)62/h21-32,37-38,63H,3-20,33-36H2,1-2H3,(H,64,70)(H,65,71)
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| InChIKey |
KPQZBHBZZNSBGB-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