General Information of the Compound
| Compound ID |
CP0475976
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| Compound Name |
3-[[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C25H22Cl2N8O
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| Molecular Weight |
521.412
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| Canonical SMILES |
Cc1nc(CN2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)no1
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| InChI |
InChI=1S/C25H22Cl2N8O/c1-16-30-21(32-36-16)14-33-10-12-34(13-11-33)24-22-25(29-15-28-24)35(18-8-6-17(26)7-9-18)23(31-22)19-4-2-3-5-20(19)27/h2-9,15H,10-14H2,1H3
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| InChIKey |
UOJLKEZTALYBIN-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