COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK567389
Chemical Name: 4-bromo-2-{(E)-[7-(4-chlorophenyl)-9-oxo-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-12-ium-10(9H)-ylidene]methyl}-6-methoxyphenolate
Smiles: COc1cc(Br)cc(c1[O-])/C=c\1/sc2=[NH+]C3=C(C(n2c1=O)c1ccc(cc1)Cl)CCc1c3cccc1

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Molecular Weight: 579.9
Empirical Formula: C28H20BrClN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.915
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 91
Number of rings: 6

     

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