COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK710268
Chemical Name: ethyl(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(n(c2C)c2ccc3c(c2)OCO3)C)/C1=O

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Molecular Weight: 488.56
Empirical Formula: C27H24N2O5S

Physical State: Dry powder
Available Amount: 1037 mg

Lipinsky:
logP: 6.463
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 5

     

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