General Information of the Compound
| Compound ID |
CP0846904
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| Compound Name |
sodium 1-amino-4-(benzylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C21H15N2NaO5S
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| Molecular Weight |
430.417
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C21H16N2O5S.Na/c22-19-16(29(26,27)28)10-15(23-11-12-6-2-1-3-7-12)17-18(19)21(25)14-9-5-4-8-13(14)20(17)24;/h1-10,23H,11,22H2,(H,26,27,28);/q;+1/p-1
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| InChIKey |
GDVXPWFZZWZMHU-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