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| Ligand Name: N,N′-dimethyl-N-(iodoacetyl)-N′-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1477 |
PubChem:
2762639
|
Synonym(s):
- 173485-12-6
- 2-iodo-n-methyl-n-(2-(methyl(7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)ethyl)acetamide
- 2-iodo-n-methyl-n-[2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]acetamide
- ianbd amide
- n,n'-dimethyl-n-(iodoacetyl) -n'-(7-nitrobenz-2-oxa-1,3-diazol- 4-yl)ethylenediamine
- schembl131795
- dtxsid70376345
- tqp0979
- zinc14983418
- akos015909072
- ft-0629552
- 2-iodo-n-methyl-n-{2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl}acetamide
show 11 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: ICC(=O)N(C)CCN(C)c1ccc([N+]([O-])=O)c(c12)non2 |
| Standard InChI: InChI=1S/C12H14IN5O4/c1-16(5-6-17(2)10(19)7-13)8-3-4-9(18(20)21)12-11(8)14-22-15-12/h3-4H,5-7H2,1-2H3 |
| Molecular Formula: C12H14IN5O4 |
Mol. Weight: 419.00906 |
logP: 1.4606 |
| HBD: 0 | HBA: 7 |
| #Rotatable Bonds: 6 | TPSA: 105.61 |