General Information of the Compound
| Compound ID |
CP0406957
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| Compound Name |
US9447114, 1
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| Structure |
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| Formula |
C24H20ClF3N2O5S
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| Molecular Weight |
540.947
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| Canonical SMILES |
Cn1c2sc(Oc3cccc(OC(F)(F)F)c3)c(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O
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| InChI |
InChI=1S/C24H20ClF3N2O5S/c1-29-21-19(20(32)30(23(29)33)10-3-11-31)18(12-14-6-8-15(25)9-7-14)22(36-21)34-16-4-2-5-17(13-16)35-24(26,27)28/h2,4-9,13,31H,3,10-12H2,1H3
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| InChIKey |
BONXXQXWYDPMRF-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