5I1
N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide
Find entries where: 5I1
is present as a standalone ligand in 1 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide |
| Identifiers | N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide |
| Formula | C30 H34 Cl N7 O2 |
| Molecular Weight | 560.09 |
| Type | NON-POLYMER |
| Isomeric SMILES | CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N2CCC[C@H](C2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl |
| InChI | InChI=1S/C30H34ClN7O2/c1-37(2)15-6-10-27(39)34-21-13-11-20(12-14-21)29(40)38-16-5-7-22(19-38)35-30-33-18-25(31)28(36-30)24-17-32-26-9-4-3-8-23(24)26/h3-4,8-9,11-14,17-18,22,32H,5-7,10,15-16,19H2,1-2H3,(H,34,39)(H,33,35,36)/t22-/m1/s1 |
| InChIKey | ZVKCKFIOVYZRHX-JOCHJYFZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 74 |
| Chiral Atom Count | 1 |
| Bond Count | 78 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 121486733 |
