General Information of the Compound
| Compound ID |
CP0873840
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| Compound Name |
sodium 1-amino-4-(3-amino-2,4,6-trimethylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C23H20N3NaO5S
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| Molecular Weight |
473.486
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| Canonical SMILES |
Cc1cc(C)c(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1N.[Na+]
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| InChI |
InChI=1S/C23H21N3O5S.Na/c1-10-8-11(2)21(12(3)19(10)24)26-15-9-16(32(29,30)31)20(25)18-17(15)22(27)13-6-4-5-7-14(13)23(18)28;/h4-9,26H,24-25H2,1-3H3,(H,29,30,31);/q;+1/p-1
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| InChIKey |
SQBRDXRLIQWAQF-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