0SS
N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide
Find entries where: 0SS
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide |
| Identifiers | N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-4-[2-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]piperazine-1-carboxamide |
| Formula | C36 H49 N9 O2 |
| Molecular Weight | 639.833 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCCN3CCN(CC3)C(=O)Nc4cc(nn4c5ccc(cc5)C)C(C)(C)C |
| InChI | InChI=1S/C36H49N9O2/c1-25-9-13-27(14-10-25)44-31(23-29(40-44)35(3,4)5)38-33(46)37-17-18-42-19-21-43(22-20-42)34(47)39-32-24-30(36(6,7)8)41-45(32)28-15-11-26(2)12-16-28/h9-16,23-24H,17-22H2,1-8H3,(H,39,47)(H2,37,38,46) |
| InChIKey | DWTWTHMDBSOYDZ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 96 |
| Chiral Atom Count | 0 |
| Bond Count | 100 |
| Aromatic Bond Count | 22 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 71305042 |
| ChEMBL | CHEMBL3401551 |
