General Information of the Compound
| Compound ID |
CP0421060
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| Compound Name |
5,6-dihydroxy-3-thiophen-3-yl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C13H9NO4S
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| Molecular Weight |
275.285
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(O)c(O)cc2c1-c1ccsc1
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| InChI |
InChI=1S/C13H9NO4S/c15-9-3-7-8(4-10(9)16)14-12(13(17)18)11(7)6-1-2-19-5-6/h1-5,14-16H,(H,17,18)
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| InChIKey |
BXECWMMWBPCAOY-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