General Information of the Compound
| Compound ID |
CP0549962
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| Compound Name |
US9186360, 104
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| Structure |
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| Formula |
C20H12ClF5N4O4S
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| Molecular Weight |
534.85
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| Canonical SMILES |
Cn1c2oc(Cl)c(CC(=O)Nc3nc(cs3)-c3ccc(c(F)c3F)C(F)(F)F)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C20H12ClF5N4O4S/c1-29-16(32)12-8(15(21)34-17(12)30(2)19(29)33)5-11(31)28-18-27-10(6-35-18)7-3-4-9(20(24,25)26)14(23)13(7)22/h3-4,6H,5H2,1-2H3,(H,27,28,31)
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| InChIKey |
ZVSPWYGMKXWYHG-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