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| Ligand Name: 1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB420 |
PubChem:
137003167
|
Synonym(s):
- ars-1620
- ars-1323
- 1698055-85-4
- ars-1630
- 1698024-73-5
- 1698055-86-5
- chembl4214264
- ars1620
- (s)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one
- 1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one
- 1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
- ars-1323 (racemic)
- ars-1620 (s-configuration)
- ars-1630 (r-configuration)
- schembl16637284
- gtpl10383
- ars1323
- amy16838
- ars 1323
- bcp29127
- ex-a2714
- ex-a2836
- ex-a2837
- bdbm50459706
- hy-u00416
- nsc812172
- s8707
- example 227 [us9840516b2]
- acn-053846
- acn-053847
- acn-053848
- nsc-812172
- sb23244
- ac-31602
- ac-31607
- ac-31608
- bs-15572
- cs-0035015
- a16809
- (6e)-6-[6-chloro-8-fluoro-4-(4-prop-2-enoylpiperazin-1-yl)-1h-quinazolin-7-ylidene]-5-fluorocyclohexa-2,4-dien-1-one
- (r)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one
show 40 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL4214264 |
| Canonical SMILES: Oc1cccc(F)c1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C |
| Standard InChI: InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2 |
| Molecular Formula: C21H17ClF2N4O2 |
Mol. Weight: 430.1008 |
logP: 3.7686 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 3 | TPSA: 69.56 |