General Information of the Compound
| Compound ID |
CP0442880
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| Compound Name |
US8846730, 20
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| Formula |
C26H28F3N3O4S
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| Molecular Weight |
535.588
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cccc[n+]2[O-])C(F)(F)F)s1
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| InChI |
InChI=1S/C26H28F3N3O4S/c1-25(2,3)22-15-31(14-19-8-6-12-35-19)24(37-22)30-23(33)20-13-17(26(27,28)29)9-10-21(20)36-16-18-7-4-5-11-32(18)34/h4-5,7,9-11,13,15,19H,6,8,12,14,16H2,1-3H3/b30-24-/t19-/m1/s1
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| InChIKey |
IDRHDDZJGCTLFZ-NLBAYLNJSA-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