General Information of the Compound
| Compound ID |
CP0508923
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| Compound Name |
US8912224, 18
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| Structure |
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| Formula |
C25H20FN3O3S
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| Molecular Weight |
461.518
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| Canonical SMILES |
Fc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccncc3)ccc2O1
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| InChI |
InChI=1S/C25H20FN3O3S/c26-19-3-1-2-17(12-19)21-6-4-18-13-20(5-7-22(18)32-21)31-25-29-15-23(33-25)24(30)28-14-16-8-10-27-11-9-16/h1-3,5,7-13,15,21H,4,6,14H2,(H,28,30)
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| InChIKey |
SNOIEIPMQYGTKA-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