General Information of the Compound
| Compound ID |
CP0466292
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| Compound Name |
1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
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| Structure |
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| Formula |
C23H17Cl2F3N6O
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| Molecular Weight |
521.33
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| Canonical SMILES |
FC(F)(F)C(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H17Cl2F3N6O/c24-14-5-7-15(8-6-14)34-19(16-3-1-2-4-17(16)25)31-18-20(29-13-30-21(18)34)32-9-11-33(12-10-32)22(35)23(26,27)28/h1-8,13H,9-12H2
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| InChIKey |
ZXCFLNUTQVADTD-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