General Information of the Compound
| Compound ID |
CP0470289
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| Compound Name |
US8859596, 180
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| Formula |
C22H27F3N4O3S
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| Molecular Weight |
484.544
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| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1O\N=C(/C)C(C)=O)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C22H27F3N4O3S/c1-7-8-11-29-20(33-19(27-29)21(4,5)6)26-18(31)16-12-15(22(23,24)25)9-10-17(16)32-28-13(2)14(3)30/h9-10,12H,7-8,11H2,1-6H3/b26-20-,28-13+
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| InChIKey |
NHQQMISXYHEKCS-GRNBAONOSA-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