General Information of the Compound
| Compound ID |
CP0537043
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| Compound Name |
US8912224, 217
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| Structure |
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| Formula |
C23H17F2N3O4S
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| Molecular Weight |
469.469
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| Canonical SMILES |
Fc1ccc(F)c(c1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccno3)ccc2O1
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| InChI |
InChI=1S/C23H17F2N3O4S/c24-14-2-4-18(25)17(10-14)20-5-1-13-9-15(3-6-19(13)31-20)30-23-27-12-21(33-23)22(29)26-11-16-7-8-28-32-16/h2-4,6-10,12,20H,1,5,11H2,(H,26,29)
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| InChIKey |
QJBQPVLRXCPSEW-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