PDB CCD ID: | EE5 | ||||||
Number of entries in BioLiP: | 2 | ||||||
Chemical formula: | C20 H16 N2 O3 S | ||||||
InChI: | InChI=1S/C20H16N2O3S/c1-3-4-13-7-10-16-18(12(13)2)21-17(22-19(16)23)11-26-15-8-5-14(6-9-15)20(24)25/h5-10H,11H2,1-2H3,(H,24,25)(H,21,22,23) | ||||||
InChIKey: | RMIJZTKTCJJVSA-UHFFFAOYSA-N | ||||||
SMILES: |
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Name: | 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid | ||||||
ChEMBL: | CHEMBL5207717 |