COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086208
Chemical Name: 1-{4-[2,3-bis(1-hydroxy-2-methylprop-1-en-1-yl)-1,4,2,3-dithiadiazolidin-5-ylidene]-2,2-dimethyl-3-thioxo-3,4-dihydroquinolin-1(2H)-yl}ethanone
Smiles: OC(=C(C)C)N1SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)C)SN1C(=C(C)C)O

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Molecular Weight: 477.67
Empirical Formula: C22H27N3O3S3

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 5.787
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 149
Number of rings: 3

     

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