COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595427
Chemical Name: ethyl2-({(E)-[2-(2,4-dimethylphenyl)-1,3-dioxo-2,3-dihydroisoquinolin-4(1H)-ylidene]methyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(N/C=C/2\c3ccccc3C(=O)N(C2=O)c2ccc(cc2C)C)sc(c1C)C

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Molecular Weight: 474.58
Empirical Formula: C27H26N2O4S

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 7.616
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 4

     

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