General Information of the Compound
| Compound ID |
CP0563296
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| Compound Name |
US8859596, 182
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| Formula |
C25H27F4N5O2S
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| Molecular Weight |
537.583
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| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)c1ccc(F)cc1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H27F4N5O2S/c1-5-6-13-34-23(37-22(32-34)24(2,3)4)31-21(35)18-14-16(25(27,28)29)9-12-19(18)36-33-20(30)15-7-10-17(26)11-8-15/h7-12,14H,5-6,13H2,1-4H3,(H2,30,33)/b31-23-
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| InChIKey |
TTYNTOIEEQJTJV-SXBRIOAWSA-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