General Information of the Compound
| Compound ID |
CP0557609
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| Compound Name |
US8912224, 50
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| Structure |
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| Formula |
C23H22N4O4S2
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| Molecular Weight |
482.587
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C23H22N4O4S2/c1-27-14-22(25-15-27)33(28,29)26-13-19-12-24-23(32-19)30-18-8-10-21-17(11-18)7-9-20(31-21)16-5-3-2-4-6-16/h2-6,8,10-12,14-15,20,26H,7,9,13H2,1H3
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| InChIKey |
UDQHKGRLNPNKFC-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