General Information of the Compound
| Compound ID |
CP0406055
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| Compound Name |
5-(4-chlorophenyl)-N-[9-[9-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]nonyl-methylamino]nonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C53H61Cl6N7O2
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| Molecular Weight |
1040.836
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| Canonical SMILES |
CN(CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C53H61Cl6N7O2/c1-36-48(62-65(46-28-26-42(56)34-44(46)58)50(36)38-18-22-40(54)23-19-38)52(67)60-30-14-10-6-4-8-12-16-32-64(3)33-17-13-9-5-7-11-15-31-61-53(68)49-37(2)51(39-20-24-41(55)25-21-39)66(63-49)47-29-27-43(57)35-45(47)59/h18-29,34-35H,4-17,30-33H2,1-3H3,(H,60,67)(H,61,68)
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| InChIKey |
IUMPBUYJPRNFHP-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