General Information of the Compound
| Compound ID |
CP0441118
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| Compound Name |
US9187480, N-{[4-({[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]amino}methyl)cyclohexyl]methyl}aminosulfonamide
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| Synonyms |
Diphenyl purine derivative 1
PMID26161824-Compound-150
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| Structure |
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| Formula |
C25H27Cl2N7O2S
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| Molecular Weight |
560.511
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| Canonical SMILES |
NS(=O)(=O)NCC1CCC(CNc2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C25H27Cl2N7O2S/c26-18-9-11-19(12-10-18)34-24(20-3-1-2-4-21(20)27)33-22-23(30-15-31-25(22)34)29-13-16-5-7-17(8-6-16)14-32-37(28,35)36/h1-4,9-12,15-17,32H,5-8,13-14H2,(H2,28,35,36)(H,29,30,31)
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| InChIKey |
FSGQETVZTNOSAH-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
Clinical Information about the Compound