L9S
N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
Find entries where: L9S
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea |
| Identifiers | 1-(2-fluoranyl-6-pyrrolidin-1-yl-phenyl)-3-[3-[(2~{R})-1-(2-hydroxyethyl)-4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl]urea |
| Formula | C29 H33 F N8 O2 |
| Molecular Weight | 544.623 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5 |
| InChI | InChI=1S/C29H33FN8O2/c30-23-7-4-8-24(36-11-1-2-12-36)26(23)35-29(40)34-21-6-3-5-20(17-21)25-18-38(14-13-37(25)15-16-39)28-22-9-10-31-27(22)32-19-33-28/h3-10,17,19,25,39H,1-2,11-16,18H2,(H,31,32,33)(H2,34,35,40)/t25-/m0/s1 |
| InChIKey | ZJSNZHATZAWKIQ-VWLOTQADSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 73 |
| Chiral Atom Count | 1 |
| Bond Count | 78 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 138393376 |
