| PDB CCD ID: | TVR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H12 F N3 O |
| InChI: | InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1 |
| InChIKey: | ADIKUTCTGUZIDP-ZETCQYMHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H]1CN(CC(=O)N1)c2ncccc2F | | OpenEye OEToolkits 2.0.7 | CC1CN(CC(=O)N1)c2c(cccn2)F | | CACTVS 3.385 | C[CH]1CN(CC(=O)N1)c2ncccc2F | | OpenEye OEToolkits 2.0.7 | C[C@H]1CN(CC(=O)N1)c2c(cccn2)F | | ACDLabs 12.01 | Fc1cccnc1N1CC(=O)NC(C)C1 |
|
| Name: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
| ZINC: | ZINC000295069728 |
umich.edu