General Information of the Compound
| Compound ID |
CP0413326
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| Compound Name |
methyl N'-[(E)-C-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidothioate
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| Structure |
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| Formula |
C25H21ClF3N5O2S2
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| Molecular Weight |
580.057
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| Canonical SMILES |
CS\C(N)=N/C(=N\S(=O)(=O)c1ccc(cc1)C(F)(F)F)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C25H21ClF3N5O2S2/c1-37-23(30)31-24(33-38(35,36)20-13-9-18(10-14-20)25(27,28)29)34-15-21(16-5-3-2-4-6-16)22(32-34)17-7-11-19(26)12-8-17/h2-14,21H,15H2,1H3,(H2,30,31,33)
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| InChIKey |
FTGCSCGERPAADR-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