General Information of the Compound
| Compound ID |
CP0390267
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| Compound Name |
US8859596, 202
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| Formula |
C25H30F3N5OS
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| Molecular Weight |
505.61
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| Canonical SMILES |
CCCCn1nc(s\c1=N/C(=O)c1cc(ccc1NNCc1ccccc1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C25H30F3N5OS/c1-5-6-14-33-23(35-22(32-33)24(2,3)4)30-21(34)19-15-18(25(26,27)28)12-13-20(19)31-29-16-17-10-8-7-9-11-17/h7-13,15,29,31H,5-6,14,16H2,1-4H3/b30-23-
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| InChIKey |
COLQTGDSLKJFAJ-WMMMYUQOSA-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