General Information of the Compound
| Compound ID |
CP0533162
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| Compound Name |
US8912224, 42
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| Structure |
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| Formula |
C25H21N3O4S
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| Molecular Weight |
459.527
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| Canonical SMILES |
Oc1cc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)ccn1
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| InChI |
InChI=1S/C25H21N3O4S/c29-23-12-16(10-11-26-23)14-27-24(30)22-15-28-25(33-22)31-19-7-9-21-18(13-19)6-8-20(32-21)17-4-2-1-3-5-17/h1-5,7,9-13,15,20H,6,8,14H2,(H,26,29)(H,27,30)
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| InChIKey |
DJIJFXVQGDYJEO-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