COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868388
Chemical Name: dimethyl2-[(3,4-dihydroisoquinolin-2(1H)-ylcarbonothioyl)amino]benzene-1,4-dicarboxylate
Smiles: COC(=O)c1ccc(cc1NC(=S)N1CCc2c(C1)cccc2)C(=O)OC

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Molecular Weight: 384.46
Empirical Formula: C20H20N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.653
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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