General Information of the Compound
| Compound ID |
CP0413536
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| Compound Name |
US9186360, 77
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| Structure |
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| Formula |
C19H12F5N5O3S2
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| Molecular Weight |
517.461
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| Canonical SMILES |
Cn1c2snc(CC(=O)Nc3nc(cs3)-c3ccc(F)c(c3F)C(F)(F)F)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C19H12F5N5O3S2/c1-28-15(31)12-9(27-34-16(12)29(2)18(28)32)5-11(30)26-17-25-10(6-33-17)7-3-4-8(20)13(14(7)21)19(22,23)24/h3-4,6H,5H2,1-2H3,(H,25,26,30)
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| InChIKey |
XCZDOORZBGHHNA-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