General Information of the Compound
| Compound ID |
CP0575497
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| Compound Name |
US8912224, 204
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| Structure |
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| Formula |
C21H20N2O4S
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| Molecular Weight |
396.468
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| Canonical SMILES |
OCCNC(=O)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C21H20N2O4S/c24-11-10-22-20(25)19-13-23-21(28-19)26-16-7-9-18-15(12-16)6-8-17(27-18)14-4-2-1-3-5-14/h1-5,7,9,12-13,17,24H,6,8,10-11H2,(H,22,25)/t17-/m0/s1
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| InChIKey |
FMGUUTFYIQTBSK-KRWDZBQOSA-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