COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074775
Chemical Name: 1-{4-[2,3-bis(1-hydroxy-2-methylprop-1-en-1-yl)-1,4,2,3-dithiadiazolidin-5-ylidene]-6-methoxy-2,2-dimethyl-3-thioxo-3,4-dihydroquinolin-1(2H)-yl}ethanone
Smiles: COc1ccc2c(c1)C(=C1SN(N(S1)C(=C(C)C)O)C(=C(C)C)O)C(=S)C(N2C(=O)C)(C)C

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Molecular Weight: 507.7
Empirical Formula: C23H29N3O4S3

Physical State: Dry powder
Available Amount: 487 mg

Lipinsky:
logP: 5.662
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 159
Number of rings: 3

     

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