General Information of the Compound
| Compound ID |
CP0411384
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| Compound Name |
US8895592, 9
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| Formula |
C25H34F3N3O2S
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| Molecular Weight |
497.627
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| Canonical SMILES |
CCCCn1cc(s\c1=N/C(=O)c1cc(ccc1OC[C@@H]1CCCN1C)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H34F3N3O2S/c1-6-7-13-31-15-21(24(2,3)4)34-23(31)29-22(32)19-14-17(25(26,27)28)10-11-20(19)33-16-18-9-8-12-30(18)5/h10-11,14-15,18H,6-9,12-13,16H2,1-5H3/b29-23-/t18-/m0/s1
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| InChIKey |
CJYQFKUWCZJAHS-USAHCJTHSA-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