| PDB CCD ID: | 7BF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H18 N6 O |
| InChI: | InChI=1S/C19H18N6O/c1-3-14-11-20-8-6-16(14)17(5-1)26-12-15-4-2-10-24(15)18-7-9-21-19-22-13-23-25(18)19/h1,3,5-9,11,13,15H,2,4,10,12H2/t15-/m1/s1 |
| InChIKey: | UCCCEISNAUTIDA-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1cc2cnccc2c(c1)OCC3CCCN3c4ccnc5n4ncn5 | | CACTVS 3.385 | C1C[C@H](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45 | | CACTVS 3.385 | C1C[CH](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45 | | OpenEye OEToolkits 2.0.6 | c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5 |
|
| Name: | 5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline |
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