| PDB CCD ID: | OY4 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H16 F N5 O3 S |
| InChI: | InChI=1S/C15H16FN5O3S/c1-8(22)17-4-5-25-15-13(20-24-21-15)14(19-23)18-12-6-9-2-3-10(16)7-11(9)12/h2-3,7,12,23H,4-6H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1 |
| InChIKey: | IWTLWDCOKRYTFP-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)NCCSc1nonc1C(N[CH]2Cc3ccc(F)cc23)=NO | | OpenEye OEToolkits 2.0.7 | CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F | | OpenEye OEToolkits 2.0.7 | CC(=O)NCCSc1c(non1)C(=NO)NC2Cc3c2cc(cc3)F | | CACTVS 3.385 | CC(=O)NCCSc1nonc1/C(N[C@H]2Cc3ccc(F)cc23)=N/O | | ACDLabs 12.01 | c2(ccc1CC(c1c2)NC(=N/O)\c3nonc3SCCNC(C)=O)F |
|
| Name: | N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide |
| ChEMBL: | CHEMBL4584522 |
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