General Information of the Compound
| Compound ID |
CP0413272
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| Compound Name |
US9422293, 18
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| Structure |
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| Formula |
C23H19F3N6
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| Molecular Weight |
436.441
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2ncnc(Nc3nccc4ccccc34)c2CC1
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| InChI |
InChI=1S/C23H19F3N6/c24-23(25,26)18-6-3-10-28-22(18)32-12-8-17-19(9-13-32)29-14-30-21(17)31-20-16-5-2-1-4-15(16)7-11-27-20/h1-7,10-11,14H,8-9,12-13H2,(H,27,29,30,31)
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| InChIKey |
HLNCAKBGFXIKLV-UHFFFAOYSA-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1