General Information of the Compound
| Compound ID |
CP0930220
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| Compound Name |
US9067935, 107
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| Structure |
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| Formula |
C23H18F3N3O5S
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| Molecular Weight |
505.474
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| Canonical SMILES |
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc2ccccn12
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| InChI |
InChI=1S/C23H18F3N3O5S/c1-15-21(27-20-4-2-3-13-28(15)20)29(14-16-5-9-18(10-6-16)34-23(24,25)26)35(32,33)19-11-7-17(8-12-19)22(30)31/h2-13H,14H2,1H3,(H,30,31)
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| InChIKey |
YPILCPWOTPAOLK-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