General Information of the Compound
| Compound ID |
CP0383285
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| Compound Name |
1-ethyl-5,6-dihydroxyindole-2-carboxylic acid
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| Structure |
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| Formula |
C11H11NO4
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| Molecular Weight |
221.212
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| Canonical SMILES |
CCn1c(cc2cc(O)c(O)cc12)C(O)=O
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| InChI |
InChI=1S/C11H11NO4/c1-2-12-7-5-10(14)9(13)4-6(7)3-8(12)11(15)16/h3-5,13-14H,2H2,1H3,(H,15,16)
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| InChIKey |
UEDKWJDOUGYJQX-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