General Information of the Compound
| Compound ID |
CP0849866
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| Compound Name |
sodium 1-amino-4-(6-carboxynaphthalen-2-ylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
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| Structure |
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| Formula |
C25H15N2NaO7S
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| Molecular Weight |
510.459
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| Canonical SMILES |
Nc1c(S(=O)(=O)[O-])cc(Nc2ccc3cc(C(=O)O)ccc3c2)c2c1C(=O)c1ccccc1C2=O.[Na+]
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| InChI |
InChI=1S/C25H16N2O7S.Na/c26-22-19(35(32,33)34)11-18(20-21(22)24(29)17-4-2-1-3-16(17)23(20)28)27-15-8-7-12-9-14(25(30)31)6-5-13(12)10-15;/h1-11,27H,26H2,(H,30,31)(H,32,33,34);/q;+1/p-1
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| InChIKey |
FYFRVQPLZUYTGQ-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