General Information of the Compound
| Compound ID |
CP0848977
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| Compound Name |
2-Methyl-6-(4-methylpiperazin-1-yl)-9-tetrahydropyran-4-yl-8-[2-(trifluoromethyl)phenyl]purine Hydrochloride
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| Structure |
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| Formula |
C23H28ClF3N6O
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| Molecular Weight |
496.965
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| Canonical SMILES |
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C(F)(F)F)n(C3CCOCC3)c2n1.Cl
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| InChI |
InChI=1S/C23H27F3N6O.ClH/c1-15-27-21(31-11-9-30(2)10-12-31)19-22(28-15)32(16-7-13-33-14-8-16)20(29-19)17-5-3-4-6-18(17)23(24,25)26;/h3-6,16H,7-14H2,1-2H3;1H
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| InChIKey |
RKBMMCQSHOXMNV-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
Protein ID: PT02333, Cannabinoid receptor 2