General Information of the Compound
| Compound ID |
CP0521618
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| Compound Name |
US9186360, 46
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| Structure |
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| Formula |
C23H20F4N4O3S2
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| Molecular Weight |
540.564
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| Canonical SMILES |
CC(C)c1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F4N4O3S2/c1-10(2)18-12(17-19(33)30(3)22(34)31(4)20(17)36-18)8-16(32)29-21-28-15(9-35-21)11-5-6-13(14(24)7-11)23(25,26)27/h5-7,9-10H,8H2,1-4H3,(H,28,29,32)
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| InChIKey |
ZLGGDXLEMLRCRT-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT03065, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT04494, Transient receptor potential cation channel subfamily V member 3
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4