General Information of the Compound
| Compound ID |
CP0516824
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| Compound Name |
US9186360, 93
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| Formula |
C22H19ClF3N4O9PS
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| Molecular Weight |
638.901
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| Canonical SMILES |
Cc1oc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)\N=c1/scc(-c2ccc(OC(F)(F)F)c(Cl)c2)n1COP(O)(O)=O
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| InChI |
InChI=1S/C22H19ClF3N4O9PS/c1-10-12(17-18(32)28(2)21(33)29(3)19(17)38-10)7-16(31)27-20-30(9-37-40(34,35)36)14(8-41-20)11-4-5-15(13(23)6-11)39-22(24,25)26/h4-6,8H,7,9H2,1-3H3,(H2,34,35,36)/b27-20-
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| InChIKey |
MBFAPSKWPISCAC-OOAXWGSJSA-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