General Information of the Compound
| Compound ID |
CP0379530
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| Compound Name |
N-[9-[9-aminononyl(methyl)amino]nonyl]-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C36H52Cl3N5O
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| Molecular Weight |
677.205
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| Canonical SMILES |
CN(CCCCCCCCCN)CCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C36H52Cl3N5O/c1-28-34(42-44(33-22-21-31(38)27-32(33)39)35(28)29-17-19-30(37)20-18-29)36(45)41-24-14-10-6-4-8-12-16-26-43(2)25-15-11-7-3-5-9-13-23-40/h17-22,27H,3-16,23-26,40H2,1-2H3,(H,41,45)
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| InChIKey |
YSLYAILXDKYYMD-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