General Information of the Compound
| Compound ID |
CP0419513
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| Compound Name |
US9186360, 94
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| Formula |
C21H18F5N6O7PS
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| Molecular Weight |
624.441
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| Canonical SMILES |
Cn1nc2n(C)c(=O)n(C)c(=O)c2c1CC(=O)\N=c1/scc(-c2ccc(F)c(c2F)C(F)(F)F)n1COP(O)(O)=O
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| InChI |
InChI=1S/C21H18F5N6O7PS/c1-29-17-14(18(34)30(2)20(29)35)11(31(3)28-17)6-13(33)27-19-32(8-39-40(36,37)38)12(7-41-19)9-4-5-10(22)15(16(9)23)21(24,25)26/h4-5,7H,6,8H2,1-3H3,(H2,36,37,38)/b27-19-
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| InChIKey |
RDUWGQOSDSCPEY-DIBXZPPDSA-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