General Information of the Compound
| Compound ID |
CP0413325
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| Compound Name |
ethyl N'-[(E)-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 |
C25H23Cl2N5O2S2
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| Molecular Weight |
560.532
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| Canonical SMILES |
CCS\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/C25H23Cl2N5O2S2/c1-2-35-24(28)29-25(31-36(33,34)21-14-12-20(27)13-15-21)32-16-22(17-6-4-3-5-7-17)23(30-32)18-8-10-19(26)11-9-18/h3-15,22H,2,16H2,1H3,(H2,28,29,31)
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| InChIKey |
AUKQWTDOTAXTQT-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