General Information of the Compound
| Compound ID |
CP0489050
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| Compound Name |
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dimethylpyrrol-1-yl)-4-ethylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C25H22Cl4N4O
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| Molecular Weight |
536.29
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| Canonical SMILES |
CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H22Cl4N4O/c1-4-18-23(24(34)30-13-16-7-9-19(26)21(28)11-16)31-33(17-8-10-20(27)22(29)12-17)25(18)32-14(2)5-6-15(32)3/h5-12H,4,13H2,1-3H3,(H,30,34)
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| InChIKey |
MHEYMSXHCJXKMK-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2