General Information of the Compound
| Compound ID |
CP0390454
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| Compound Name |
1-(2,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(4,5,6,7-tetrahydroisoindol-2-yl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C26H22Cl4N4O
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| Molecular Weight |
548.301
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| Canonical SMILES |
Cc1c(nn(c1-n1cc2CCCCc2c1)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H22Cl4N4O/c1-15-24(25(35)31-12-16-6-8-20(28)21(29)10-16)32-34(23-9-7-19(27)11-22(23)30)26(15)33-13-17-4-2-3-5-18(17)14-33/h6-11,13-14H,2-5,12H2,1H3,(H,31,35)
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| InChIKey |
USOYXZSGLUUHML-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