General Information of the Compound
| Compound ID |
CP0499054
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| Compound Name |
1-benzyl-5,6-dihydroxyindole-2-carboxylic acid
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| Structure |
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| Formula |
C16H13NO4
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| Molecular Weight |
283.283
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| Canonical SMILES |
OC(=O)c1cc2cc(O)c(O)cc2n1Cc1ccccc1
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| InChI |
InChI=1S/C16H13NO4/c18-14-7-11-6-13(16(20)21)17(12(11)8-15(14)19)9-10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,20,21)
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| InChIKey |
IWVQUUVAGPAIOO-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