General Information of the Compound
| Compound ID |
CP0507708
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| Compound Name |
US8912224, 49
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| Structure |
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| Formula |
C23H18FN3O4S
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| Molecular Weight |
451.479
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| Canonical SMILES |
Fc1cccc(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccno3)ccc2O1
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| InChI |
InChI=1S/C23H18FN3O4S/c24-16-3-1-2-14(10-16)19-6-4-15-11-17(5-7-20(15)30-19)29-23-26-13-21(32-23)22(28)25-12-18-8-9-27-31-18/h1-3,5,7-11,13,19H,4,6,12H2,(H,25,28)
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| InChIKey |
ISPWMVDBXFFYFS-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