EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C27H28FN5O3 |
| Net Charge | 0 |
| Average Mass | 489.551 |
| Monoisotopic Mass | 489.21762 |
| SMILES | O=C(NCc1ccncn1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1CC1CC1 |
| InChI | InChI=1S/C27H28FN5O3/c28-18-5-3-17(4-6-18)20-7-8-23-24-21(13-32(23)27(20)36)22(14-34)25(33(24)12-16-1-2-16)26(35)30-11-19-9-10-29-15-31-19/h3-10,15-16,21-22,24-25,34H,1-2,11-14H2,(H,30,35)/t21-,22-,24+,25-/m1/s1 |
| InChIKey | URDKMROJZUNSLX-YQIMAOPZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-(4-pyrimidinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102062) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-13422 | LINCS |