General Information of the Compound
| Compound ID |
CP0426608
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| Compound Name |
US8859596, 177
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| Formula |
C22H29F3N4O3S
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| Molecular Weight |
486.56
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| Canonical SMILES |
CC(C)(C)NOc1ccc(cc1C(=O)\N=c1/sc(nn1CC1CCO1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C22H29F3N4O3S/c1-20(2,3)18-27-29(12-14-9-10-31-14)19(33-18)26-17(30)15-11-13(22(23,24)25)7-8-16(15)32-28-21(4,5)6/h7-8,11,14,28H,9-10,12H2,1-6H3/b26-19-
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| InChIKey |
DCPIWCAHLIQQQU-XHPQRKPJSA-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