General Information of the Compound
| Compound ID |
CP0474473
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| Compound Name |
US8912224, 91
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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(nc(C)n1)C(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H24N4O3S/c1-16-12-22(30-17(2)29-16)25(31)27-14-21-15-28-26(34-21)32-20-9-11-24-19(13-20)8-10-23(33-24)18-6-4-3-5-7-18/h3-7,9,11-13,15,23H,8,10,14H2,1-2H3,(H,27,31)
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| InChIKey |
CQEXRMXZVZNZLG-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