| PDB CCD ID: | 2IV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H16 F N3 O2 |
| InChI: | InChI=1S/C16H16FN3O2/c17-10-3-1-4-11-14(10)9(8-18-11)7-12-16(22)20-6-2-5-13(20)15(21)19-12/h1,3-4,8,12-13,18H,2,5-7H2,(H,19,21)/t12-,13-/m0/s1 |
| InChIKey: | BDTWCDGKPNOPEO-STQMWFEESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)F)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3 | | CACTVS 3.385 | Fc1cccc2[nH]cc(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)c12 | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)F)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3 | | CACTVS 3.385 | Fc1cccc2[nH]cc(C[CH]3NC(=O)[CH]4CCCN4C3=O)c12 |
|
| Name: | (3~{S},8~{a}~{S})-3-[(4-fluoranyl-1~{H}-indol-3-yl)methyl]-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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