General Information of the Compound
| Compound ID |
CP0474983
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| Compound Name |
US9422293, 378
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| Structure |
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| Formula |
C26H26F6N6O2S
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| Molecular Weight |
600.589
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| Canonical SMILES |
FC(F)(F)c1cccnc1N1CCc2nc(nc(Nc3ccc(cc3)S(=O)(=O)C(F)(F)F)c2CC1)N1CCCCC1
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| InChI |
InChI=1S/C26H26F6N6O2S/c27-25(28,29)20-5-4-12-33-23(20)37-15-10-19-21(11-16-37)35-24(38-13-2-1-3-14-38)36-22(19)34-17-6-8-18(9-7-17)41(39,40)26(30,31)32/h4-9,12H,1-3,10-11,13-16H2,(H,34,35,36)
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| InChIKey |
QKGQZHLNMJLKPR-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