General Information of the Compound
| Compound ID |
CP0422475
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| Compound Name |
US8895592, 29
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| Formula |
C21H22F3N3O3S
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| Molecular Weight |
453.486
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| Canonical SMILES |
CCCCn1c2cnccc2s\c1=N/C(=O)c1cc(ccc1OC[C@H](C)O)C(F)(F)F
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| InChI |
InChI=1S/C21H22F3N3O3S/c1-3-4-9-27-16-11-25-8-7-18(16)31-20(27)26-19(29)15-10-14(21(22,23)24)5-6-17(15)30-12-13(2)28/h5-8,10-11,13,28H,3-4,9,12H2,1-2H3/b26-20-/t13-/m0/s1
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| InChIKey |
GTPXWSRXESPRJW-XQUWXSQBSA-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