General Information of the Compound
| Compound ID |
CP0374242
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| Compound Name |
5-(4-chlorophenyl)-N-[5-[5-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]pentylamino]pentyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C44H43Cl6N7O2
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| Molecular Weight |
914.593
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCNCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C44H43Cl6N7O2/c1-27-39(54-56(37-19-17-33(47)25-35(37)49)41(27)29-9-13-31(45)14-10-29)43(58)52-23-7-3-5-21-51-22-6-4-8-24-53-44(59)40-28(2)42(30-11-15-32(46)16-12-30)57(55-40)38-20-18-34(48)26-36(38)50/h9-20,25-26,51H,3-8,21-24H2,1-2H3,(H,52,58)(H,53,59)
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| InChIKey |
LHBMIEHDMBMMTP-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