General Information of the Compound
| Compound ID |
CP0474469
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| Compound Name |
US8912224, 44
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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(CNC(=O)c4cccnc4)s3)ccc2O1
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| InChI |
InChI=1S/C25H20FN3O3S/c26-19-5-1-3-16(11-19)22-8-6-17-12-20(7-9-23(17)32-22)31-25-29-15-21(33-25)14-28-24(30)18-4-2-10-27-13-18/h1-5,7,9-13,15,22H,6,8,14H2,(H,28,30)
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| InChIKey |
ALMUNQGDLIEFSJ-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