General Information of the Compound
| Compound ID |
CP0443119
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| Compound Name |
US8859596, 179
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| Formula |
C23H26F6N4O2
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| Molecular Weight |
504.475
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| Canonical SMILES |
C\C(=N/Oc1ccc(cc1C(=O)\N=c1/cc(n(C)n1CC1CC1)C(C)(C)C)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H26F6N4O2/c1-13(22(24,25)26)31-35-17-9-8-15(23(27,28)29)10-16(17)20(34)30-19-11-18(21(2,3)4)32(5)33(19)12-14-6-7-14/h8-11,14H,6-7,12H2,1-5H3/b30-19+,31-13+
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| InChIKey |
KQRZIAMYGOGXSN-DVKFUYPJSA-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