General Information of the Compound
| Compound ID |
CP0426658
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| Compound Name |
N-[1-[8-(2-chlorophenyl)-9-[6-(difluoromethoxy)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3,4-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C28H22ClF4N7O3S
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| Molecular Weight |
648.042
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| Canonical SMILES |
FC(F)Oc1ccc(cn1)-n1c(nc2c(ncnc12)N1CCC(CC1)NS(=O)(=O)c1ccc(F)c(F)c1)-c1ccccc1Cl
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| InChI |
InChI=1S/C28H22ClF4N7O3S/c29-20-4-2-1-3-19(20)25-37-24-26(35-15-36-27(24)40(25)17-5-8-23(34-14-17)43-28(32)33)39-11-9-16(10-12-39)38-44(41,42)18-6-7-21(30)22(31)13-18/h1-8,13-16,28,38H,9-12H2
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| InChIKey |
MCXIURDZSUDTHQ-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