General Information of the Compound
| Compound ID |
CP0460436
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| Compound Name |
1-amino-4-(3-fluoroanilino)-9,10-dioxoanthracene-2-sulfonic acid
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| Structure |
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| Formula |
C20H13FN2O5S
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| Molecular Weight |
412.398
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| Canonical SMILES |
Nc1c(cc(Nc2cccc(F)c2)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
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| InChI |
InChI=1S/C20H13FN2O5S/c21-10-4-3-5-11(8-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-6-1-2-7-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)
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| InChIKey |
XPJJVUHZNXODOA-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