General Information of the Compound
| Compound ID |
CP0542114
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| Compound Name |
US8846730, 75
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| Formula |
C22H26F3N3O4S
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| Molecular Weight |
485.528
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| Canonical SMILES |
CC(=O)NOc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C22H26F3N3O4S/c1-13(29)27-32-17-8-7-14(22(23,24)25)10-16(17)19(30)26-20-28(11-15-6-5-9-31-15)12-18(33-20)21(2,3)4/h7-8,10,12,15H,5-6,9,11H2,1-4H3,(H,27,29)/b26-20-/t15-/m1/s1
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| InChIKey |
UDTOPTBWPAEPKX-XXQDRHBBSA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2