COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL418769
Chemical Name: 2-[(4-{(Z)-[4,6-dioxo-1-(prop-2-en-1-yl)-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Smiles: C=CCN1C(=S)NC(=O)/C(=C/c2ccc(cc2)OCc2ccccc2C#N)/C1=O

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Molecular Weight: 403.46
Empirical Formula: C22H17N3O3S

Physical State: Dry powder
Available Amount: 257 mg

Lipinsky:
logP: 3.407
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 114
Number of rings: 3

     

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