General Information of the Compound
| Compound ID |
CP0431071
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| Compound Name |
ethyl 4-[5-(2-chlorophenyl)-2-(2,4-dimethylphenyl)pyrazole-3-carbonyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C25H27ClN4O3
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| Molecular Weight |
466.969
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)c1cc(nn1-c1ccc(C)cc1C)-c1ccccc1Cl
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| InChI |
InChI=1S/C25H27ClN4O3/c1-4-33-25(32)29-13-11-28(12-14-29)24(31)23-16-21(19-7-5-6-8-20(19)26)27-30(23)22-10-9-17(2)15-18(22)3/h5-10,15-16H,4,11-14H2,1-3H3
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| InChIKey |
VFWKLRQPRKIPLU-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