General Information of the Compound
| Compound ID |
CP0390258
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| Compound Name |
US8859596, 158
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| Formula |
C21H29F3N4O3S
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| Molecular Weight |
474.549
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| Canonical SMILES |
COCCn1nc(s\c1=N/C(=O)c1cc(ccc1ONC(C)(C)C)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C21H29F3N4O3S/c1-19(2,3)17-26-28(10-11-30-7)18(32-17)25-16(29)14-12-13(21(22,23)24)8-9-15(14)31-27-20(4,5)6/h8-9,12,27H,10-11H2,1-7H3/b25-18-
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| InChIKey |
VATLOBXNWXSBLZ-BWAHOGKJSA-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