General Information of the Compound
| Compound ID |
CP0548723
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| Compound Name |
US8912224, 232
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| Structure |
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| Formula |
C23H20N4O4S
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| Molecular Weight |
448.504
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| Canonical SMILES |
Cc1ccc(cn1)C1CCc2cc(Oc3ncc(s3)C(=O)NCc3ccno3)ccc2O1
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| InChI |
InChI=1S/C23H20N4O4S/c1-14-2-3-16(11-24-14)20-6-4-15-10-17(5-7-19(15)30-20)29-23-26-13-21(32-23)22(28)25-12-18-8-9-27-31-18/h2-3,5,7-11,13,20H,4,6,12H2,1H3,(H,25,28)
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| InChIKey |
LUUNEHLZGUHEJR-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