General Information of the Compound
| Compound ID |
CP0412619
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| Compound Name |
US9186360, 39
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| Structure |
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| Formula |
C20H17F3N6O3S
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| Molecular Weight |
478.456
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| Canonical SMILES |
Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C20H17F3N6O3S/c1-27-16-15(17(31)28(2)19(27)32)13(29(3)26-16)8-14(30)25-18-24-12(9-33-18)10-4-6-11(7-5-10)20(21,22)23/h4-7,9H,8H2,1-3H3,(H,24,25,30)
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| InChIKey |
MMRVTSMOSFLTST-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