| PDB CCD ID: | QC8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C23 H23 F N2 O4 |
| InChI: | InChI=1S/C23H23FN2O4/c1-25-23(28)15-8-13(22(27)26-20-16-10-29-11-17(16)20)7-14-19(12-5-3-2-4-6-12)18(9-24)30-21(14)15/h2-8,16-20H,9-11H2,1H3,(H,25,28)(H,26,27)/t16-,17+,18-,19+,20+/m1/s1 |
| InChIKey: | WZQLVEPIBAOOGF-RMMWZPCPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CNC(=O)c1cc(cc2[CH]([CH](CF)Oc12)c3ccccc3)C(=O)NC4[CH]5COC[CH]45 | | CACTVS 3.385 | CNC(=O)c1cc(cc2[C@@H]([C@@H](CF)Oc12)c3ccccc3)C(=O)NC4[C@@H]5COC[C@H]45 | | OpenEye OEToolkits 2.0.7 | CNC(=O)c1cc(cc2c1OC(C2c3ccccc3)CF)C(=O)NC4C5C4COC5 | | OpenEye OEToolkits 2.0.7 | CNC(=O)c1cc(cc2c1O[C@@H]([C@H]2c3ccccc3)CF)C(=O)NC4[C@H]5[C@@H]4COC5 |
|
| Name: | (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
| ChEMBL: | CHEMBL4637208 |
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