| ID | 2924 |
| Name | Pencardin |
| Pubchem ID | 6441949 |
| KEGG ID | N/A |
| Source | N/A |
| Type | Unknown |
| Function | Unknown |
| Drug Like Properties | No |
| Molecular Weight | 1222.78 |
| Exact mass | 1221.558537 |
| Molecular formula | C57H80ClN13O15 |
| XlogP | N/A |
| Topological Polar Surface Area | 396 |
| H-Bond Donor | 12 |
| H-Bond Acceptor | 20 |
| Rotational Bond Count | 16 |
| IUPAC Name | 2,2-bis(hydroxymethyl)propane-1,3-diol;(1E)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline; 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine; 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;hydrochloride |
| Structure | |
| SDF file | |
| MOL file | |
| PDB file | |
| Canonical SMILE | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N.C(C(CO)(CO)CO)O.Cl |
| Isomeric SMILE | CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CCOC1=C(C=C(C=C1)/C=C/2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N.C(C(CO)(CO)CO)O.Cl |
| Drugpedia | wiki |
| References | 1. Source 2. Function 3. All Records |