General Information of the Compound
| Compound ID |
CP0462374
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| Compound Name |
5,6-dihydroxy-3-pyridin-3-yl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C14H10N2O4
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| Molecular Weight |
270.244
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1cccnc1
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| InChI |
InChI=1S/C14H10N2O4/c17-10-4-8-9(5-11(10)18)16-13(14(19)20)12(8)7-2-1-3-15-6-7/h1-6,16-18H,(H,19,20)
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| InChIKey |
VHTLJBKAJXBJBY-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