PDB CCD ID: | D8G |
Number of entries in BioLiP: | 4 |
Chemical formula: | C17 H14 F N3 O S |
InChI: | InChI=1S/C17H14FN3OS/c1-10-7-14-16(23-10)12-8-19-21(17(22)15(12)20(14)2)9-11-5-3-4-6-13(11)18/h3-8H,9H2,1-2H3 |
InChIKey: | IEWYEWDDQWYJLU-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | Fc1ccccc1CN2N=Cc4c(C2=O)n(c3c4sc(c3)C)C | CACTVS 3.341 | Cn1c2cc(C)sc2c3C=NN(Cc4ccccc4F)C(=O)c13 | OpenEye OEToolkits 1.5.0 | Cc1cc2c(s1)c3c(n2C)C(=O)N(N=C3)Cc4ccccc4F |
|
Name: | 6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one |
ChEMBL: | CHEMBL1084625 |
DrugBank: | DB07628 |
ZINC: | ZINC000001350599 |