5JU
N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide
Find entries where: 5JU
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide |
| Identifiers | 2-[[2-chloranyl-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoylamino]-N-[3-[methyl-[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino]propyl]ethanamide |
| Formula | C32 H36 Cl N9 O2 S |
| Molecular Weight | 646.205 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6 |
| InChI | InChI=1S/C32H36ClN9O2S/c1-20-23(7-3-11-34-20)28-25-16-21(8-9-26(25)45-29(28)33)40-32(44)37-17-27(43)35-12-5-14-41(2)22-6-4-15-42(18-22)31-24-10-13-36-30(24)38-19-39-31/h3,7-9,11,13,16,19,22H,4-6,10,12,14-15,17-18H2,1-2H3,(H,35,43)(H2,37,40,44)/t22-/m1/s1 |
| InChIKey | BUHUWDQAOUQQHQ-JOCHJYFZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 81 |
| Chiral Atom Count | 1 |
| Bond Count | 86 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137348361 |
