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| Ligand Name: 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB282 |
PubChem:
86279165
|
Synonym(s):
- ars-853
- 1629268-00-3
- ars-853 (ars853)
- piperazinyl]-1-azetidinyl]-
- chembl4476113
- 1-(3-(4-((4-chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)glycyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one
- 2-propen-1-one, 1-[3-[4-[2-[[4-chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl]amino]acetyl]-1-
- ars853
- schembl16117872
- ars 853
- bcp17042
- ex-a1689
- bdbm50503649
- s8156
- ccg-269047
- cs-6065
- ac-32568
- ak685577
- bs-15949
- hy-19706
- q27456045
- 1-(3-(4-(2-((4-chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)amino)acetyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one
- 1-[3-[4-[2-[4-chloro-2-hydroxy-5-(1-methylcyclopropyl)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
show 22 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4476113 |
| Canonical SMILES: CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl |
| Standard InChI: InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3 |
| Molecular Formula: C22H29ClN4O3 |
Mol. Weight: 432.1928 |
logP: 2.05 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 76.12 |