General Information of the Compound
| Compound ID |
CP0412503
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| Compound Name |
5,6-dihydroxy-1-phenacylindole-2-carboxylic acid
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| Structure |
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| Formula |
C17H13NO5
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| Molecular Weight |
311.293
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| Canonical SMILES |
OC(=O)c1cc2cc(O)c(O)cc2n1CC(=O)c1ccccc1
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| InChI |
InChI=1S/C17H13NO5/c19-14-7-11-6-13(17(22)23)18(12(11)8-15(14)20)9-16(21)10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,22,23)
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| InChIKey |
KGNDSSNOKGLXAQ-UHFFFAOYSA-N
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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