General Information of the Compound
| Compound ID |
CP0482713
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| Compound Name |
US9186360, 35
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| Structure |
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| Formula |
C22H18Cl2F3N5O4S
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| Molecular Weight |
576.384
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| Canonical SMILES |
Cn1c2ccn(CC(=O)Nc3nc(cs3)-c3cc(Cl)c(OCCC(F)(F)F)c(Cl)c3)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C22H18Cl2F3N5O4S/c1-30-15-3-5-32(17(15)19(34)31(2)21(30)35)9-16(33)29-20-28-14(10-37-20)11-7-12(23)18(13(24)8-11)36-6-4-22(25,26)27/h3,5,7-8,10H,4,6,9H2,1-2H3,(H,28,29,33)
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| InChIKey |
MSAYCLQQORKAFC-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