General Information of the Compound
| Compound ID |
CP0484505
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| Compound Name |
US8846730, 48
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| Formula |
C26H34F3N3O5S2
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| Molecular Weight |
589.702
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OC[C@@H]2CCCN2S(C)(=O)=O)C(F)(F)F)s1
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| InChI |
InChI=1S/C26H34F3N3O5S2/c1-25(2,3)22-15-31(14-19-8-6-12-36-19)24(38-22)30-23(33)20-13-17(26(27,28)29)9-10-21(20)37-16-18-7-5-11-32(18)39(4,34)35/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1
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| InChIKey |
YCJCTIFDDNUKCT-QWIPUYGYSA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2