General Information of the Compound
| Compound ID |
CP0483594
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| Compound Name |
benzyl 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 |
C30H25Cl2N5O2S2
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| Molecular Weight |
622.603
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| Canonical SMILES |
N\C(SCc1ccccc1)=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C30H25Cl2N5O2S2/c31-24-13-11-23(12-14-24)28-27(22-9-5-2-6-10-22)19-37(35-28)30(34-29(33)40-20-21-7-3-1-4-8-21)36-41(38,39)26-17-15-25(32)16-18-26/h1-18,27H,19-20H2,(H2,33,34,36)
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| InChIKey |
HCTXPMQHLDXHOT-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