General Information of the Compound
| Compound ID |
CP0489889
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| Compound Name |
US9186360, 96
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| Formula |
C21H16F5N4O7PS2
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| Molecular Weight |
626.478
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| Canonical SMILES |
Cn1c2scc(CC(=O)\N=c3/scc(-c4ccc(F)c(c4F)C(F)(F)F)n3COP(O)(O)=O)c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C21H16F5N4O7PS2/c1-28-17(32)14-9(6-39-18(14)29(2)20(28)33)5-13(31)27-19-30(8-37-38(34,35)36)12(7-40-19)10-3-4-11(22)15(16(10)23)21(24,25)26/h3-4,6-7H,5,8H2,1-2H3,(H2,34,35,36)/b27-19-
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| InChIKey |
IEXGDENLKSBYPG-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