COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK188229
Chemical Name: (5E)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O

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Molecular Weight: 409.47
Empirical Formula: C21H19N3O4S

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 4.014
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 4

     

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