ID | 2824 |
Name | NSC 264062 |
Pubchem ID | 84056 |
KEGG ID | N/A |
Source | N/A |
Type | Unknown |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 431.50 |
Exact mass | 431.140258 |
Molecular formula | C22H25NO6S |
XlogP | 1.1 |
Topological Polar Surface Area | 94.1 |
H-Bond Donor | 2 |
H-Bond Acceptor | 6 |
Rotational Bond Count | 6 |
IUPAC Name | 2-hydroxy-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)CO)OC)OC |
Isomeric SMILE | COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)CO)OC)OC |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |