General Information of the Compound
| Compound ID |
CP0448653
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| Compound Name |
1-amino-4-(3-methoxyanilino)-9,10-dioxoanthracene-2-sulfonic acid
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| Structure |
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| Formula |
C21H16N2O6S
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| Molecular Weight |
424.434
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| Canonical SMILES |
COc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(O)(=O)=O)c1
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| InChI |
InChI=1S/C21H16N2O6S/c1-29-12-6-4-5-11(9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)
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| InChIKey |
UOXSNOOWASRNHS-UHFFFAOYSA-N
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| CAS |
94023-25-3
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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