General Information of the Compound
| Compound ID |
CP0546808
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| Compound Name |
US8859596, 159
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| Formula |
C23H33F3N4O2
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| Molecular Weight |
454.537
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| Canonical SMILES |
CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1ONC(C)C)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C23H33F3N4O2/c1-8-9-12-30-20(14-19(29(30)7)22(4,5)6)27-21(31)17-13-16(23(24,25)26)10-11-18(17)32-28-15(2)3/h10-11,13-15,28H,8-9,12H2,1-7H3/b27-20+
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| InChIKey |
WRLBEGQDNOJOKV-NHFJDJAPSA-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