EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H31Cl2N5O3 |
| Net Charge | 0 |
| Average Mass | 496.439 |
| Monoisotopic Mass | 495.18040 |
| SMILES | O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO |
| InChI | InChI=1S/C23H31Cl2N5O3/c24-18-8-6-16(12-19(18)25)26-23(32)27-20-9-7-17(33-22(20)14-31)10-11-30-13-21(28-29-30)15-4-2-1-3-5-15/h6,8,12-13,15,17,20,22,31H,1-5,7,9-11,14H2,(H2,26,27,32)/t17-,20-,22+/m1/s1 |
| InChIKey | UESSXGKYQCVSOE-ZNLUXHQJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[(2R,3R,6R)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(3,4-dichlorophenyl)urea (CHEBI:118462) is a C-glycosyl compound (CHEBI:20857) |
| Manual Xrefs | Databases |
|---|---|
| LSM-29911 | LINCS |