General Information of the Compound
| Compound ID |
CP0555377
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| Compound Name |
US8859596, 184
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| Formula |
C25H36F3N5O3S
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| Molecular Weight |
543.656
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| Canonical SMILES |
CCCCn1nc(s\c1=N\C(=O)c1cc(ccc1N(C)N(C)C(=O)OC(C)(C)C)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H36F3N5O3S/c1-10-11-14-33-21(37-20(30-33)23(2,3)4)29-19(34)17-15-16(25(26,27)28)12-13-18(17)31(8)32(9)22(35)36-24(5,6)7/h12-13,15H,10-11,14H2,1-9H3/b29-21+
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| InChIKey |
PWCWPIQNGOEKHA-XHLNEMQHSA-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