General Information of the Compound
| Compound ID |
CP0469773
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| Compound Name |
US8859596, 154
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| Formula |
C20H25F3N4O3S
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| Molecular Weight |
458.506
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| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)=O)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C20H25F3N4O3S/c1-6-7-10-27-18(31-17(25-27)19(3,4)5)24-16(29)14-11-13(20(21,22)23)8-9-15(14)30-26-12(2)28/h8-9,11H,6-7,10H2,1-5H3,(H,26,28)/b24-18-
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| InChIKey |
VPIYHYPZGISMSN-MOHJPFBDSA-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