| PDB CCD ID: | M39 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H15 F N4 O S |
| InChI: | InChI=1S/C19H15FN4OS/c1-12-5-2-3-8-16(12)24-18(25)15-10-21-23-17(15)22-19(24)26-11-13-6-4-7-14(20)9-13/h2-10H,11H2,1H3,(H,21,23) |
| InChIKey: | SSEVBNPAVKLWFQ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(F)c4 | | ACDLabs 12.01 | O=C2c1cnnc1N=C(N2c3ccccc3C)SCc4cc(F)ccc4 | | OpenEye OEToolkits 2.0.6 | Cc1ccccc1N2C(=O)c3c[nH]nc3N=C2SCc4cccc(c4)F |
|
| Name: | 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| ChEMBL: | CHEMBL4217738 |
| ZINC: | ZINC000008830013 |
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