| PDB CCD ID: | 7BK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H19 F N2 O2 |
| InChI: | InChI=1S/C20H19FN2O2/c1-20(16-5-3-2-4-6-16)12-19(24)23(14-20)9-10-25-17-7-8-18(21)15(11-17)13-22/h2-8,11H,9-10,12,14H2,1H3/t20-/m0/s1 |
| InChIKey: | WMVNTKWNIVSPIC-FQEVSTJZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 | | CACTVS 3.385 | C[C]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3 | | CACTVS 3.385 | C[C@]1(CN(CCOc2ccc(F)c(c2)C#N)C(=O)C1)c3ccccc3 | | OpenEye OEToolkits 2.0.6 | C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3 |
|
| Name: | 2-fluoranyl-5-[2-[(4~{R})-4-methyl-2-oxidanylidene-4-phenyl-pyrrolidin-1-yl]ethoxy]benzenecarbonitrile |
| ChEMBL: | CHEMBL3924430 |
| ZINC: | ZINC000584905464 |
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