General Information of the Compound
| Compound ID |
CP0389943
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| Compound Name |
cyclobutylmethyl 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylate
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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)OCC1CCC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H26Cl2N6O2/c28-19-8-10-20(11-9-19)35-24(21-6-1-2-7-22(21)29)32-23-25(30-17-31-26(23)35)33-12-14-34(15-13-33)27(36)37-16-18-4-3-5-18/h1-2,6-11,17-18H,3-5,12-16H2
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| InChIKey |
YEPIVDHPDVHGOC-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