 |
| Ligand Name: ML175 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1097 |
PubChem:
4257368
|
Synonym(s):
- chembl1502738
- 610263-01-9
- n-[3-(n-(2-chloroacetyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide
- n-[3-(n-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide
- smr000431543
- sr-01000764868
- mls000768222
- mls003126529
- c13h13clf3n3o4
- chebi:93016
- hms2810f08
- zinc4981065
- bdbm50458515
- stl336138
- akos022142190
- mcule-4204170779
- sr-01000764868-2
- sr-01000764868-3
- q27164745
- n-[3-[chloroacetyl(4-nitrophenyl)amino]propyl]-2,2,2-trifluoroacetamide
- n-{3-[(chloroacetyl)(4-nitrophenyl)amino]propyl}-2,2,2-trifluoroacetamide
show 20 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1502738 |
| Canonical SMILES: O=[N+]([O-])c1ccc(cc1)N(C(=O)CCl)CCCNC(=O)C(F)(F)F |
| Standard InChI: InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22) |
| Molecular Formula: C13H13ClF3N3O4 |
Mol. Weight: 367.05466 |
logP: 2.2352 |
| HBD: 1 | HBA: 4 |
| #Rotatable Bonds: 7 | TPSA: 92.55 |