General Information of the Compound
| Compound ID |
CP0545674
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| Compound Name |
US8859596, 198
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| Formula |
C25H36F3N5O2
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| Molecular Weight |
495.59
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| Canonical SMILES |
CCCCn1n(C)c(c\c1=N/C(=O)c1cc(ccc1NNC(=O)C(C)(C)C)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H36F3N5O2/c1-9-10-13-33-20(15-19(32(33)8)23(2,3)4)29-21(34)17-14-16(25(26,27)28)11-12-18(17)30-31-22(35)24(5,6)7/h11-12,14-15,30H,9-10,13H2,1-8H3,(H,31,35)/b29-20+
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| InChIKey |
BJOFJFSNABMDHG-ZTKZIYFRSA-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