General Information of the Compound
| Compound ID |
CP0553366
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| Compound Name |
US8912224, 45
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| Structure |
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| Formula |
C26H22FN3O3S
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| Molecular Weight |
475.545
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| Canonical SMILES |
Fc1cccc(c1)C1CCc2cc(Oc3ncc(CNC(=O)Cc4cccnc4)s3)ccc2O1
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| InChI |
InChI=1S/C26H22FN3O3S/c27-20-5-1-4-18(12-20)23-8-6-19-13-21(7-9-24(19)33-23)32-26-30-16-22(34-26)15-29-25(31)11-17-3-2-10-28-14-17/h1-5,7,9-10,12-14,16,23H,6,8,11,15H2,(H,29,31)
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| InChIKey |
PZSXIXLOFHNOPZ-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