General Information of the Compound
| Compound ID |
CP0542768
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]purine
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| Structure |
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| Formula |
C28H23Cl3N6
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| Molecular Weight |
549.893
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(Cc2cccc(Cl)c2)CC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H23Cl3N6/c29-20-8-10-22(11-9-20)37-26(23-6-1-2-7-24(23)31)34-25-27(32-18-33-28(25)37)36-14-12-35(13-15-36)17-19-4-3-5-21(30)16-19/h1-11,16,18H,12-15,17H2
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| InChIKey |
MLDMUIJWBRFXOV-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