General Information of the Compound
| Compound ID |
CP0526804
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| Compound Name |
1,3-bis(5-hydroxy-7-{[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]sulfamoyl}naphthalen-2-yl)urea
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| Structure |
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| Formula |
C35H26N12O7S2
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| Molecular Weight |
790.804
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| Canonical SMILES |
Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)Nc3cccc(c3)-n3cnnn3)ccc12)S(=O)(=O)Nc1cccc(c1)-n1cnnn1
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| InChI |
InChI=1S/C35H26N12O7S2/c48-33-17-29(55(51,52)40-25-3-1-5-27(15-25)46-19-36-42-44-46)13-21-11-23(7-9-31(21)33)38-35(50)39-24-8-10-32-22(12-24)14-30(18-34(32)49)56(53,54)41-26-4-2-6-28(16-26)47-20-37-43-45-47/h1-20,40-41,48-49H,(H2,38,39,50)
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| InChIKey |
PMSVUNCVEHPURI-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