COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079619
Chemical Name: 4-[2,3-bis(1-hydroxy-2-methylprop-1-en-1-yl)-1,4,2,3-dithiadiazolidin-5-ylidene]-2,2,6-trimethyl-1,4-dihydroquinoline-3(2H)-thione
Smiles: Cc1ccc2c(c1)C(=C1SN(N(S1)C(=C(C)C)O)C(=C(C)C)O)C(=S)C(N2)(C)C

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Molecular Weight: 449.66
Empirical Formula: C21H27N3O2S3

Physical State: Dry powder
Available Amount: 262 mg

Lipinsky:
logP: 5.894
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 141
Number of rings: 3

     

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