General Information of the Compound
| Compound ID |
CP0489176
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| Compound Name |
methyl N'-[C-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-chlorophenyl)sulfonylcarbonimidoyl]carbamimidothioate
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| Structure |
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| Formula |
C24H21Cl2N5O2S2
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| Molecular Weight |
546.505
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| Canonical SMILES |
CS\C(N)=N/C(=N\S(=O)(=O)c1ccc(Cl)cc1)/N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C24H21Cl2N5O2S2/c1-34-23(27)28-24(30-35(32,33)20-13-11-19(26)12-14-20)31-15-21(16-5-3-2-4-6-16)22(29-31)17-7-9-18(25)10-8-17/h2-14,21H,15H2,1H3,(H2,27,28,30)
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| InChIKey |
GDSSETOTAPQCDJ-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