General Information of the Compound
| Compound ID |
CP0548719
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| Compound Name |
US8912224, 126
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| Structure |
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| Formula |
C24H23N3O4S3
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| Molecular Weight |
513.666
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| Canonical SMILES |
Cc1nc(C)c(s1)S(=O)(=O)NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1
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| InChI |
InChI=1S/C24H23N3O4S3/c1-15-23(32-16(2)27-15)34(28,29)26-14-20-13-25-24(33-20)30-19-9-11-22-18(12-19)8-10-21(31-22)17-6-4-3-5-7-17/h3-7,9,11-13,21,26H,8,10,14H2,1-2H3
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| InChIKey |
SGCMMYJRAXKJAS-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