COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK742968
Chemical Name: (10E)-10-(3-bromo-4-hydroxy-5-nitrobenzylidene)-7-(3-nitrophenyl)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one
Smiles: [O-][N+](=O)c1cccc(c1)C1C2=C(N=c3n1c(=O)/c(=C\c1cc(Br)c(c(c1)[N+](=O)[O-])O)/s3)c1c(CC2)cccc1

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Molecular Weight: 605.43
Empirical Formula: C27H17BrN4O6S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 7.794
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 169
Number of rings: 6

     

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