PDB CCD ID: | 4E1 |
Number of entries in BioLiP: | 4 |
Chemical formula: | C16 H9 I N2 O2 |
InChI: | InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21) |
InChIKey: | SDRAETFVRBBLOB-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I | OpenEye OEToolkits 1.9.2 | c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O | CACTVS 3.385 | OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13 |
|
Name: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid |
ChEMBL: | CHEMBL3589662 |
ZINC: | ZINC000230506524 |