ID | 1892 |
Name | Colchicine derivative |
Pubchem ID | 73627 |
KEGG ID | N/A |
Source | N/A |
Type | Unknown |
Function | Unknown |
Drug Like Properties | Yes |
Molecular Weight | 439.38 |
Exact mass | 439.124272 |
Molecular formula | C21H20F3NO6 |
XlogP | 1.7 |
Topological Polar Surface Area | 94.1 |
H-Bond Donor | 2 |
H-Bond Acceptor | 9 |
Rotational Bond Count | 4 |
IUPAC Name | 2,2,2-trifluoro-N-[(7S)-2-hydroxy-1,3,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide |
Structure | |
SDF file | |
MOL file | |
PDB file | |
Canonical SMILE | COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F |
Isomeric SMILE | COC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F |
Drugpedia | wiki |
References | 1. Source 2. Function 3. All Records |