General Information of the Compound
| Compound ID |
CP0537045
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| Compound Name |
US8912224, 250
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| Structure |
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| Formula |
C21H19N3O5S
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| Molecular Weight |
425.466
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| Canonical SMILES |
COC(=O)CNC(=O)c1cnc(Oc2ccc3OC(CCc3c2)c2cccnc2)s1
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| InChI |
InChI=1S/C21H19N3O5S/c1-27-19(25)12-23-20(26)18-11-24-21(30-18)28-15-5-7-16-13(9-15)4-6-17(29-16)14-3-2-8-22-10-14/h2-3,5,7-11,17H,4,6,12H2,1H3,(H,23,26)
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| InChIKey |
MBRZTWDCAZXHCS-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