General Information of the Compound
| Compound ID |
CP0386430
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| Compound Name |
5-(4-chlorophenyl)-N-[9-[9-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]nonylamino]nonyl]-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C52H59Cl6N7O2
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| Molecular Weight |
1026.809
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCCNCCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C52H59Cl6N7O2/c1-35-47(62-64(45-27-25-41(55)33-43(45)57)49(35)37-17-21-39(53)22-18-37)51(66)60-31-15-11-7-3-5-9-13-29-59-30-14-10-6-4-8-12-16-32-61-52(67)48-36(2)50(38-19-23-40(54)24-20-38)65(63-48)46-28-26-42(56)34-44(46)58/h17-28,33-34,59H,3-16,29-32H2,1-2H3,(H,60,66)(H,61,67)
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| InChIKey |
MLXWYXQUJZAWMS-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