General Information of the Compound
| Compound ID |
CP0479789
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| Compound Name |
5-amino-2-(4-nitroanilino)benzenesulfonic acid
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| Structure |
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| Formula |
C12H11N3O5S
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| Molecular Weight |
309.303
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| Canonical SMILES |
Nc1ccc(Nc2ccc(cc2)[N+]([O-])=O)c(c1)S(O)(=O)=O
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| InChI |
InChI=1S/C12H11N3O5S/c13-8-1-6-11(12(7-8)21(18,19)20)14-9-2-4-10(5-3-9)15(16)17/h1-7,14H,13H2,(H,18,19,20)
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| InChIKey |
OBTPEUAQRSSTFK-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
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase