| PDB CCD ID: | RKI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H13 N3 O3 S |
| InChI: | InChI=1S/C16H13N3O3S/c20-13(21)7-10-2-1-3-11(6-10)8-17-16(22)14-15-12(4-5-23-15)18-9-19-14/h1-6,9H,7-8H2,(H,17,22)(H,20,21) |
| InChIKey: | VCJDDYFVULHGFW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)Cc1cccc(c1)CNC(=O)c1ncnc2ccsc12 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)CNC(=O)c2c3c(ccs3)ncn2)CC(=O)O | | CACTVS 3.385 | OC(=O)Cc1cccc(CNC(=O)c2ncnc3ccsc23)c1 |
|
| Name: | (3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid |
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