General Information of the Compound
| Compound ID |
CP0424188
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| Compound Name |
US8859596, 178
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| Formula |
C24H28F6N4O3
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| Molecular Weight |
534.501
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| Canonical SMILES |
C\C(=N/Oc1ccc(cc1C(=O)\N=c1/cc(n(C)n1C[C@H]1CCCO1)C(C)(C)C)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H28F6N4O3/c1-14(23(25,26)27)32-37-18-9-8-15(24(28,29)30)11-17(18)21(35)31-20-12-19(22(2,3)4)33(5)34(20)13-16-7-6-10-36-16/h8-9,11-12,16H,6-7,10,13H2,1-5H3/b31-20+,32-14+/t16-/m1/s1
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| InChIKey |
NBVONOJWUGYVFG-IXXKQSIBSA-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