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| Ligand Name: ARS-107 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB616 |
PubChem:
78319120
|
Synonym(s):
- schembl16103039
- 1-(3-(4-(2-(4,5-dichloro-2-hydroxyphenylamino)acetyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one
- 1-[3-[4-[2-(4,5-dichloro-2-hydroxyanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Oc1cc(Cl)c(Cl)cc1NCC(=O)N1CCN(CC1)C1CN(C1)C(=O)C=C |
| Standard InChI: InChI=1S/C18H22Cl2N4O3/c1-2-17(26)24-10-12(11-24)22-3-5-23(6-4-22)18(27)9-21-15-7-13(19)14(20)8-16(15)25/h2,7-8,12,21,25H,1,3-6,9-11H2 |
| Molecular Formula: C18H22Cl2N4O3 |
Mol. Weight: 412.1069 |
logP: 1.6519 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 5 | TPSA: 76.12 |