General Information of the Compound
| Compound ID |
CP0912378
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| Compound Name |
US8859596, 157
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| Formula |
C25H34F3N3O2
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| Molecular Weight |
465.56
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| Canonical SMILES |
CCCCn1ccc(C(C)(C)C)c/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(C)(C)C
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| InChI |
InChI=1S/C25H34F3N3O2/c1-8-9-13-31-14-12-17(23(2,3)4)16-21(31)29-22(32)19-15-18(25(26,27)28)10-11-20(19)33-30-24(5,6)7/h10-12,14-16,30H,8-9,13H2,1-7H3/b29-21+
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| InChIKey |
TTXKQZFMDIOBQP-XHLNEMQHSA-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