General Information of the Compound
| Compound ID |
CP0456341
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]purine
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| Structure |
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| Formula |
C27H21Cl2FN6
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| Molecular Weight |
519.411
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| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H21Cl2FN6/c28-18-5-9-21(10-6-18)36-25(22-3-1-2-4-23(22)29)33-24-26(31-17-32-27(24)36)35-15-13-34(14-16-35)20-11-7-19(30)8-12-20/h1-12,17H,13-16H2
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| InChIKey |
LZGRICYHJWLQKO-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