COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001463
Chemical Name: dimethyl2-(6-ethyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Smiles: COC(=O)C1=C(S/C(=C\2/c3cc(CC)ccc3NC(C2=S)(C)C)/S1)C(=O)OC

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Molecular Weight: 435.59
Empirical Formula: C20H21NO4S3

Physical State: Dry powder
Available Amount: 436 mg

Lipinsky:
logP: 4.774
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 3

     

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