General Information of the Compound
| Compound ID |
CP0416054
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| Compound Name |
1-[4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]-2-(oxolan-3-yl)ethanone
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| Structure |
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| Formula |
C27H26Cl2N6O2
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| Molecular Weight |
537.451
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)CC1CCOC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H26Cl2N6O2/c28-19-5-7-20(8-6-19)35-25(21-3-1-2-4-22(21)29)32-24-26(30-17-31-27(24)35)34-12-10-33(11-13-34)23(36)15-18-9-14-37-16-18/h1-8,17-18H,9-16H2
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| InChIKey |
RUAUXYAYDGWTHH-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