| ID | 2965 |
| Name | Propain |
| Pubchem ID | 5492657 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 1034.53 |
| Exact mass | 1033.411735 |
| Molecular formula | C51H65ClN7O12P |
| XlogP | N/A |
| Topological Polar Surface Area | 240 |
| H-Bond Donor | 7 |
| H-Bond Acceptor | 15 |
| Rotational Bond Count | 8 |
| IUPAC Name | N/A |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl |
| Isomeric SMILE | CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |