General Information of the Compound
| Compound ID |
CP0479354
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| Compound Name |
US9186360, 50
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| Structure |
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| Formula |
C22H18F4N4O3S2
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| Molecular Weight |
526.537
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| Canonical SMILES |
CCc1sc2n(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/C22H18F4N4O3S2/c1-4-15-11(17-18(32)29(2)21(33)30(3)19(17)35-15)8-16(31)28-20-27-14(9-34-20)10-5-6-12(13(23)7-10)22(24,25)26/h5-7,9H,4,8H2,1-3H3,(H,27,28,31)
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| InChIKey |
CCUITVGIDVPEJI-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