| PDB CCD ID: | 3UW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H19 F N4 O3 |
| InChI: | InChI=1S/C20H19FN4O3/c1-25-18(26)20(24-19(25)22)13-10-11(12-4-2-8-23-17(12)21)6-7-14(13)28-15-5-3-9-27-16(15)20/h2,4,6-8,10,15-16H,3,5,9H2,1H3,(H2,22,24)/t15-,16-,20-/m0/s1 |
| InChIKey: | GZRDWAATBYKNGI-FTRWYGJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N | | CACTVS 3.385 | CN1C(=N[C]2([CH]3OCCC[CH]3Oc4ccc(cc24)c5cccnc5F)C1=O)N | | OpenEye OEToolkits 1.7.6 | CN1C(=O)C2(c3cc(ccc3OC4C2OCCC4)c5cccnc5F)N=C1N | | ACDLabs 12.01 | Fc1ncccc1c5cc3c(OC4CCCOC4C32N=C(N)N(C2=O)C)cc5 | | CACTVS 3.385 | CN1C(=N[C@@]2([C@H]3OCCC[C@@H]3Oc4ccc(cc24)c5cccnc5F)C1=O)N |
|
| Name: | (4S,4a'S,10a'R)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-2'H-spiro[imidazole-4,10'-pyrano[3,2-b]chromen]-5(1H)-one |
| ChEMBL: | CHEMBL3357656 |
| ZINC: | ZINC000114793636 |
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