COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557644
Chemical Name: 3-benzyl-1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-1-methylthiourea
Smiles: COc1c(C=C2C(=O)N(C)C(=O)N(C2=O)C)c(CCN(C(=S)NCc2ccccc2)C)cc2c1OCO2

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Molecular Weight: 524.6
Empirical Formula: C26H28N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.605
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 132
Number of rings: 4

     

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