General Information of the Compound
| Compound ID |
CP0462371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5,6-dihydroxy-1-[2-(4-methylphenyl)-2-oxoethyl]indole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15NO5
|
||||||||||||||||||
| Molecular Weight |
325.32
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C(=O)Cn1c(cc2cc(O)c(O)cc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15NO5/c1-10-2-4-11(5-3-10)17(22)9-19-13-8-16(21)15(20)7-12(13)6-14(19)18(23)24/h2-8,20-21H,9H2,1H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZQATECBCJGZIB-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound