General Information of the Compound
| Compound ID |
CP0396421
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| Compound Name |
US8895592, 22
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| Formula |
C22H25F3N4O2S
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| Molecular Weight |
466.529
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| Canonical SMILES |
CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N4O2S/c1-5-6-11-29-16-13-26-10-9-18(16)32-20(29)27-19(30)15-12-14(22(23,24)25)7-8-17(15)31-28-21(2,3)4/h7-10,12-13,28H,5-6,11H2,1-4H3/b27-20-
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| InChIKey |
QGAGQLLBUTWFHS-OOAXWGSJSA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2