General Information of the Compound
| Compound ID |
CP0459063
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| Compound Name |
1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,5-dichloropyrrol-1-yl)-4-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H14Cl6N4O
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| Molecular Weight |
563.099
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| Canonical SMILES |
Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C22H14Cl6N4O/c1-11-20(21(33)29-10-12-2-4-14(23)16(25)8-12)30-32(13-3-5-15(24)17(26)9-13)22(11)31-18(27)6-7-19(31)28/h2-9H,10H2,1H3,(H,29,33)
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| InChIKey |
DVZJMJCHBXKHCI-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