| PDB CCD ID: | 9JL |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C26 H25 F N6 O |
| InChI: | InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30) |
| InChIKey: | FLCIOLFIDGTRCI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(C)Cc1ccc(c(C)c1)c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N | | ACDLabs 12.01 | CN(C)Cc1ccc(c(C)c1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12 | | OpenEye OEToolkits 2.0.7 | Cc1cc(ccc1c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F)CN(C)C |
|
| Name: | (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile;
MRTX-2219 |
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