General Information of the Compound
| Compound ID |
CP0472586
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| Compound Name |
US8859596, 172
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| Formula |
C21H24F6N4O2S
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| Molecular Weight |
510.504
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| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(C)C(F)(F)F)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C21H24F6N4O2S/c1-6-7-10-31-18(34-17(29-31)19(3,4)5)28-16(32)14-11-13(21(25,26)27)8-9-15(14)33-30-12(2)20(22,23)24/h8-9,11H,6-7,10H2,1-5H3/b28-18-,30-12+
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| InChIKey |
HJKIHRHBXOGICX-INVLZWDCSA-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