General Information of the Compound
| Compound ID |
CP0395024
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| Compound Name |
US8895592, 27
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| Formula |
C22H21F6N3O3S
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| Molecular Weight |
521.483
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| Canonical SMILES |
CC(C)(O)COc1ccc(cc1C(=O)\N=c1/sc2ccncc2n1CCCC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H21F6N3O3S/c1-20(2,33)12-34-16-5-4-13(22(26,27)28)10-14(16)18(32)30-19-31(9-3-7-21(23,24)25)15-11-29-8-6-17(15)35-19/h4-6,8,10-11,33H,3,7,9,12H2,1-2H3/b30-19-
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| InChIKey |
DCPGPHYINKGNBQ-FSGOGVSDSA-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