COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK108476
Chemical Name: ethyl(5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-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)c2ccc(cc2)C)C)/C1=O

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Molecular Weight: 458.58
Empirical Formula: C27H26N2O3S

Physical State: Dry powder
Available Amount: 328 mg

Lipinsky:
logP: 7.062
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 4

     

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