General Information of the Compound
| Compound ID |
CP0557605
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| Compound Name |
US8912224, 33
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| Structure |
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| Formula |
C26H24N4O3S
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| Molecular Weight |
472.57
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| Canonical SMILES |
Cc1cc(C)nc(CNC(=O)c2cnc(Oc3ccc4OC(CCc4c3)c3ccccc3)s2)n1
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| InChI |
InChI=1S/C26H24N4O3S/c1-16-12-17(2)30-24(29-16)15-27-25(31)23-14-28-26(34-23)32-20-9-11-22-19(13-20)8-10-21(33-22)18-6-4-3-5-7-18/h3-7,9,11-14,21H,8,10,15H2,1-2H3,(H,27,31)
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| InChIKey |
YZSFBKZRPAPCTF-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