The Biofilms Structural Database
|
|
The Biofilms Structural Database |
Antagonist 19 |
|
|---|---|
6YZ3 |
|
Code
Q25 | |
|
Name |
6-chloranyl-3-[(2-hexyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
|
Molecular Weight |
361.89 |
|
Isomeric SMILES |
CCCCCCc1nc(cs1)CN2C=Nc3ccc(cc3C2=O)Cl |
|
Formula |
C18H20ClN3OS |
|
Identifiers |
6-chloranyl-3-[(2-hexyl-1,3-thiazol-4-yl)methyl]quinazolin-4-one |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C18H20ClN3OS/c1-2-3-4-5-6-17-21-14(11-24-17)10-22-12-20-16-8-7-13(19)9-15(16)18(22)23/h7-9,11-12H,2-6,10H2,1H3 |
|
Atom Count |
44 |
|
InChIKey |
YNXMDRHVOXTCAK-UHFFFAOYSA-N |
|
PDB codes |
6YZ3 |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
46 |
|
Aromatic Bond Count |
11 |
|
Leaving Atoms |
n/a |