General Information of the Compound
| Compound ID |
CP0520320
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| Compound Name |
US8912224, 305
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| Structure |
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| Formula |
C22H22N2O5S
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| Molecular Weight |
426.494
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| Canonical SMILES |
OCC(O)CNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C22H22N2O5S/c25-13-16(26)11-23-21(27)20-12-24-22(30-20)28-17-7-9-19-15(10-17)6-8-18(29-19)14-4-2-1-3-5-14/h1-5,7,9-10,12,16,18,25-26H,6,8,11,13H2,(H,23,27)
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| InChIKey |
OFONJYAOQLVHJY-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