General Information of the Compound
| Compound ID |
CP0518943
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| Compound Name |
US9186360, 100
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| Structure |
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| Formula |
C20H13ClF4N4O4S
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| Molecular Weight |
516.86
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| Canonical SMILES |
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3cc(F)cc(c3)C(F)(F)F)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C20H13ClF4N4O4S/c1-28-16(31)14-11(15(21)33-17(14)29(2)19(28)32)6-13(30)27-18-26-12(7-34-18)8-3-9(20(23,24)25)5-10(22)4-8/h3-5,7H,6H2,1-2H3,(H,26,27,30)
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| InChIKey |
RWCHXWRYBIRFNE-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: PT03081, Transient receptor potential cation channel subfamily V member 4