General Information of the Compound
| Compound ID |
CP0480978
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| Compound Name |
3-phenylpropyl 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 |
C32H29Cl2N5O2S2
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| Molecular Weight |
650.657
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| Canonical SMILES |
N\C(SCCCc1ccccc1)=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C32H29Cl2N5O2S2/c33-26-15-13-25(14-16-26)30-29(24-11-5-2-6-12-24)22-39(37-30)32(38-43(40,41)28-19-17-27(34)18-20-28)36-31(35)42-21-7-10-23-8-3-1-4-9-23/h1-6,8-9,11-20,29H,7,10,21-22H2,(H2,35,36,38)
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| InChIKey |
LAYHGXIWNHYDPC-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