General Information of the Compound
| Compound ID |
CP0517588
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(2-methylpropylsulfonyl)piperazin-1-yl]purine
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| Structure |
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| Formula |
C25H26Cl2N6O2S
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| Molecular Weight |
545.496
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| Canonical SMILES |
CC(C)CS(=O)(=O)N1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H26Cl2N6O2S/c1-17(2)15-36(34,35)32-13-11-31(12-14-32)24-22-25(29-16-28-24)33(19-9-7-18(26)8-10-19)23(30-22)20-5-3-4-6-21(20)27/h3-10,16-17H,11-15H2,1-2H3
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| InChIKey |
RKRMTXBPFNWJNO-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