General Information of the Compound
| Compound ID |
CP0441119
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| Compound Name |
US9187480, N-{[4-({[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]amino}methyl)cyclohexyl]methyl}methanesulfonamide
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| Structure |
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| Formula |
C26H28Cl2N6O2S
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| Molecular Weight |
559.523
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| Canonical SMILES |
CS(=O)(=O)NCC1CCC(CNc2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C26H28Cl2N6O2S/c1-37(35,36)32-15-18-8-6-17(7-9-18)14-29-24-23-26(31-16-30-24)34(20-12-10-19(27)11-13-20)25(33-23)21-4-2-3-5-22(21)28/h2-5,10-13,16-18,32H,6-9,14-15H2,1H3,(H,29,30,31)
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| InChIKey |
YBDBPVNGDPRTNK-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