General Information of the Compound
| Compound ID |
CP0919056
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| Compound Name |
sodium 1-amino-4-(2-methylnaphthalen-1-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C25H17N2NaO5S
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| Molecular Weight |
480.477
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| Canonical SMILES |
Cc1ccc2ccccc2c1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C25H18N2O5S.Na/c1-13-10-11-14-6-2-3-7-15(14)23(13)27-18-12-19(33(30,31)32)22(26)21-20(18)24(28)16-8-4-5-9-17(16)25(21)29;/h2-12,27H,26H2,1H3,(H,30,31,32);/q;+1/p-1
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| InChIKey |
MNOLSPGQKZHQPW-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