General Information of the Compound
| Compound ID |
CP0426609
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| Compound Name |
US8859596, 188
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| Formula |
C22H28F3N5O2S
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| Molecular Weight |
483.56
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| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1ON=C(N)C1CC1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C22H28F3N5O2S/c1-5-6-11-30-20(33-19(28-30)21(2,3)4)27-18(31)15-12-14(22(23,24)25)9-10-16(15)32-29-17(26)13-7-8-13/h9-10,12-13H,5-8,11H2,1-4H3,(H2,26,29)/b27-20-
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| InChIKey |
BLKNABHDNQPDEA-OOAXWGSJSA-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