General Information of the Compound
| Compound ID |
CP0435108
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| Compound Name |
US8846730, 21
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| Formula |
C26H28F3N3O3S
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| Molecular Weight |
519.589
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| Canonical SMILES |
CC(C)(C)c1cn(C[C@H]2CCCO2)\c(=N\C(=O)c2cc(ccc2OCc2cccnc2)C(F)(F)F)s1
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| InChI |
InChI=1S/C26H28F3N3O3S/c1-25(2,3)22-15-32(14-19-7-5-11-34-19)24(36-22)31-23(33)20-12-18(26(27,28)29)8-9-21(20)35-16-17-6-4-10-30-13-17/h4,6,8-10,12-13,15,19H,5,7,11,14,16H2,1-3H3/b31-24-/t19-/m1/s1
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| InChIKey |
VNPZIYVKZINPBQ-UZZGYCMZSA-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