General Information of the Compound
| Compound ID |
CP0380935
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| Compound Name |
US8846730, 74
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| Formula |
C28H34F3N3O3S
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| Molecular Weight |
549.659
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCC(C)(C)n2cccc2)C(F)(F)F)s1
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| InChI |
InChI=1S/C28H34F3N3O3S/c1-26(2,3)23-17-33(16-20-9-8-14-36-20)25(38-23)32-24(35)21-15-19(28(29,30)31)10-11-22(21)37-18-27(4,5)34-12-6-7-13-34/h6-7,10-13,15,17,20H,8-9,14,16,18H2,1-5H3/b32-25-/t20-/m1/s1
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| InChIKey |
SNSOKGNNGWRORX-NQKPNARHSA-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