General Information of the Compound
Compound ID |
CP0483587
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Compound Name |
(NE)-N-(1-aminoethylidene)-5-(4-chlorophenyl)-N'-(4-methylphenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
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Structure |
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Formula |
C25H24ClN5O2S
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Molecular Weight |
494.02
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Canonical SMILES |
C\C(N)=N/C(=N\S(=O)(=O)c1ccc(C)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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InChI |
InChI=1S/C25H24ClN5O2S/c1-17-8-14-22(15-9-17)34(32,33)30-25(28-18(2)27)31-16-23(19-6-4-3-5-7-19)24(29-31)20-10-12-21(26)13-11-20/h3-15,23H,16H2,1-2H3,(H2,27,28,30)
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InChIKey |
CJEHBOUXIOWINR-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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