General Information of the Compound
| Compound ID |
CP0413328
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| Compound Name |
(NE)-N-[1-adamantyl(amino)methylidene]-5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C33H33Cl2N5O2S
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| Molecular Weight |
634.633
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| Canonical SMILES |
N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C33H33Cl2N5O2S/c34-26-8-6-25(7-9-26)30-29(24-4-2-1-3-5-24)20-40(38-30)32(39-43(41,42)28-12-10-27(35)11-13-28)37-31(36)33-17-21-14-22(18-33)16-23(15-21)19-33/h1-13,21-23,29H,14-20H2,(H2,36,37,39)
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| InChIKey |
OSYZZQUHPRJBMP-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: PT01715, Cannabinoid receptor 1
Protein ID: PT01998, Cannabinoid receptor 2