General Information of the Compound
| Compound ID |
CP0412605
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-6-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]purine
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| Structure |
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| Formula |
C28H25Cl2N7
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| Molecular Weight |
530.463
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CCc2ccncc2)CC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H25Cl2N7/c29-21-5-7-22(8-6-21)37-26(23-3-1-2-4-24(23)30)34-25-27(32-19-33-28(25)37)36-17-15-35(16-18-36)14-11-20-9-12-31-13-10-20/h1-10,12-13,19H,11,14-18H2
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| InChIKey |
PGKZDVBILHZWSP-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