General Information of the Compound
| Compound ID |
CP0463405
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| Compound Name |
US9186360, 48
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| Structure |
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| Formula |
C22H18F4N4O4S2
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| Molecular Weight |
542.536
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| Canonical SMILES |
CCc1sc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)Nc1nc(cs1)-c1cc(F)c(OC(F)F)c(F)c1
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| InChI |
InChI=1S/C22H18F4N4O4S2/c1-4-14-10(16-18(32)29(2)22(33)30(3)19(16)36-14)7-15(31)28-21-27-13(8-35-21)9-5-11(23)17(12(24)6-9)34-20(25)26/h5-6,8,20H,4,7H2,1-3H3,(H,27,28,31)
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| InChIKey |
ZLRQOPRFOLBNTA-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