COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK188034
Chemical Name: 2-{[4-(3-{(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)phenoxy]methyl}benzonitrile
Smiles: N#Cc1ccccc1COc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)F

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Molecular Weight: 550.61
Empirical Formula: C31H23FN4O3S

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 6.097
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 119
Number of rings: 5

     

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