General Information of the Compound
| Compound ID |
CP0903423
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| Compound Name |
Sodium 1-Amino-4-(2-chlorophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C20H12ClN2NaO5S
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| Molecular Weight |
450.835
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2Cl)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C20H13ClN2O5S.Na/c21-12-7-3-4-8-13(12)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)10-5-1-2-6-11(10)20(17)25;/h1-9,23H,22H2,(H,26,27,28);/q;+1/p-1
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| InChIKey |
GXVMOLTYGHEVCQ-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