LXL
1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
Find entries where: LXL
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea |
| Synonyms | Lexibulin |
| Identifiers | 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea |
| Formula | C24 H30 N6 O2 |
| Molecular Weight | 434.534 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C |
| InChI | InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1 |
| InChIKey | MTJHLONVHHPNSI-IBGZPJMESA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 1 |
| Bond Count | 64 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 11351021 |
| ChEMBL | CHEMBL552212 |
| ChEBI | CHEBI:95005 |
