General Information of the Compound
| Compound ID |
CP0412557
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| Compound Name |
US9186360, 21
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| Structure |
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| Formula |
C22H16ClF3N4O3S
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| Molecular Weight |
508.909
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| Canonical SMILES |
Cn1c2cccc(CC(=O)Nc3nc(cs3)-c3ccc(Cl)c(c3)C(F)(F)F)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C22H16ClF3N4O3S/c1-29-16-5-3-4-12(18(16)19(32)30(2)21(29)33)9-17(31)28-20-27-15(10-34-20)11-6-7-14(23)13(8-11)22(24,25)26/h3-8,10H,9H2,1-2H3,(H,27,28,31)
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| InChIKey |
GBLKNVFTITUYJG-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