General Information of the Compound
| Compound ID |
CP0517078
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| Compound Name |
CHEBI:18315
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| Structure |
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| Formula |
C14H6N2O8
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| Molecular Weight |
330.208
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| Canonical SMILES |
OC(=O)c1cc2c([nH]1)-c1c(cc(nc1C(=O)C2=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
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| InChIKey |
MMXZSJMASHPLLR-UHFFFAOYSA-N
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| CAS |
72909-34-3
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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