General Information of the Compound
| Compound ID |
CP0539128
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| Compound Name |
C-533,536-02
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| Structure |
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| Formula |
C25H27N2NaO5S
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| Molecular Weight |
490.557
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| Canonical SMILES |
[Na+].CC(C)(C)c1ccc(CN(Cc2cccc(OCC([O-])=O)c2)S(=O)(=O)c2cccnc2)cc1
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| InChI |
InChI=1S/C25H28N2O5S.Na/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29;/h4-15H,16-18H2,1-3H3,(H,28,29);/q;+1/p-1
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| InChIKey |
SVNBMCJEDANCKY-UHFFFAOYSA-M
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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