COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL444488
Chemical Name: 2-[(1E,3Z)-3-chloro-4-(4-nitrophenyl)buta-1,3-dien-1-yl]quinazolin-4(3H)-one
Smiles: Cl/C(=C\c1ccc(cc1)[N+](=O)[O-])/C=C/c1nc2ccccc2c(=O)[nH]1

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Molecular Weight: 353.76
Empirical Formula: C18H12ClN3O3

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 3.172
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 3

     

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