General Information of the Compound
| Compound ID |
CP0479881
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| Compound Name |
US9434711, 525
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| Structure |
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| Formula |
C25H23NO6S2
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| Molecular Weight |
497.594
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| Canonical SMILES |
COc1ccc(CN(c2sc3ccccc3c2C)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1OC
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| InChI |
InChI=1S/C25H23NO6S2/c1-16-20-6-4-5-7-23(20)33-24(16)26(15-17-8-13-21(31-2)22(14-17)32-3)34(29,30)19-11-9-18(10-12-19)25(27)28/h4-14H,15H2,1-3H3,(H,27,28)
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| InChIKey |
RVRCUQYXPUKWOR-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