General Information of the Compound
| Compound ID |
CP0479894
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| Compound Name |
(NE)-N-[amino-(2,4-difluorophenyl)methylidene]-5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
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| Structure |
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| Formula |
C29H21Cl2F2N5O2S
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| Molecular Weight |
612.489
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| Canonical SMILES |
N\C(=N\C(=N/S(=O)(=O)c1ccc(Cl)cc1)\N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F
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| InChI |
InChI=1S/C29H21Cl2F2N5O2S/c30-20-8-6-19(7-9-20)27-25(18-4-2-1-3-5-18)17-38(36-27)29(35-28(34)24-15-12-22(32)16-26(24)33)37-41(39,40)23-13-10-21(31)11-14-23/h1-16,25H,17H2,(H2,34,35,37)
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| InChIKey |
YLVRDNAZJJAWJA-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