COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113489
Chemical Name: (5E)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccccc1N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O

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Molecular Weight: 475.52
Empirical Formula: C25H21N3O5S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 4.815
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 114
Number of rings: 5

     

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