COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK325842
Chemical Name: (10E)-10-{3,5-dibromo-2-[(4-nitrobenzyl)oxy]benzylidene}-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Smiles: Brc1cc(Br)c(c(c1)/C=c\1/sc2=NC3=C(C(n2c1=O)c1cccc(c1)[N+](=O)[O-])CCc1c3cccc1)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 774.45
Empirical Formula: C34H22Br2N4O6S

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 10.149
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 158
Number of rings: 7

     

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