General Information of the Compound
| Compound ID |
CP0421061
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| Compound Name |
3-(4-carboxyphenyl)-5,6-dihydroxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C16H11NO6
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| Molecular Weight |
313.265
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C16H11NO6/c18-11-5-9-10(6-12(11)19)17-14(16(22)23)13(9)7-1-3-8(4-2-7)15(20)21/h1-6,17-19H,(H,20,21)(H,22,23)
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| InChIKey |
PAASXQYAKXYCKY-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