General Information of the Compound
| Compound ID |
CP0946903
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| Compound Name |
Sodium 1-Amino-4-(2-carboxy-4-nitrophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C21H12N3NaO9S
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| Molecular Weight |
505.396
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C21H13N3O9S.Na/c22-18-15(34(31,32)33)8-14(23-13-6-5-9(24(29)30)7-12(13)21(27)28)16-17(18)20(26)11-4-2-1-3-10(11)19(16)25;/h1-8,23H,22H2,(H,27,28)(H,31,32,33);/q;+1/p-1
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| InChIKey |
SBHOYZHCJOZKIP-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