General Information of the Compound
| Compound ID |
CP0466290
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| Compound Name |
cyclobutyl 4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C26H24Cl2N6O2
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| Molecular Weight |
523.424
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCN(CC1)C(=O)OC1CCC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C26H24Cl2N6O2/c27-17-8-10-18(11-9-17)34-23(20-6-1-2-7-21(20)28)31-22-24(29-16-30-25(22)34)32-12-14-33(15-13-32)26(35)36-19-4-3-5-19/h1-2,6-11,16,19H,3-5,12-15H2
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| InChIKey |
VUGBXKWRUKYWQG-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