General Information of the Compound
| Compound ID |
CP0410541
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| Compound Name |
US8912224, 130
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| Structure |
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| Formula |
C26H28N4O4S2
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| Molecular Weight |
524.668
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| Canonical SMILES |
CC(C)n1ncc(c1C)S(=O)(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C26H28N4O4S2/c1-17(2)30-18(3)25(16-28-30)36(31,32)29-15-22-14-27-26(35-22)33-21-10-12-24-20(13-21)9-11-23(34-24)19-7-5-4-6-8-19/h4-8,10,12-14,16-17,23,29H,9,11,15H2,1-3H3
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| InChIKey |
XRHVLKZSUAGSNV-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