COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK189941
Chemical Name: (5E)-5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2ccc(o2)c2ccc(cc2Br)[N+](=O)[O-])/C1=O

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Molecular Weight: 462.28
Empirical Formula: C18H12BrN3O5S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 3.769
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 140
Number of rings: 3

     

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