General Information of the Compound
| Compound ID |
CP0382525
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| Compound Name |
US8846730, 47
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| Formula |
C27H34F3N3O4S
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| Molecular Weight |
553.647
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| Canonical SMILES |
CC(=O)N1CCC[C@@H]1COc1ccc(cc1C(=O)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C27H34F3N3O4S/c1-17(34)33-11-5-7-19(33)16-37-22-10-9-18(27(28,29)30)13-21(22)24(35)31-25-32(14-20-8-6-12-36-20)15-23(38-25)26(2,3)4/h9-10,13,15,19-20H,5-8,11-12,14,16H2,1-4H3/b31-25-/t19-,20-/m1/s1
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| InChIKey |
MAXQEWPJAXKLDJ-YBRZPMKISA-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