General Information of the Compound
| Compound ID |
CP0407090
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| Compound Name |
US8846730, 51
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| Formula |
C26H34F3N3O2S2
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| Molecular Weight |
541.705
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| Canonical SMILES |
CN1CCC[C@H]1COc1ccc(cc1C(=S)\N=c1/sc(cn1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C26H34F3N3O2S2/c1-25(2,3)22-15-32(14-19-8-6-12-33-19)24(36-22)30-23(35)20-13-17(26(27,28)29)9-10-21(20)34-16-18-7-5-11-31(18)4/h9-10,13,15,18-19H,5-8,11-12,14,16H2,1-4H3/b30-24-/t18-,19+/m0/s1
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| InChIKey |
SUSUTCJYDCBBIL-QWIPUYGYSA-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