COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL407134
Chemical Name: octyl3-[(5E)-5-{3-[3-(octyloxy)-3-oxopropyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Smiles: CCCCCCCCOC(=O)CCN1C(=S)S/C(=C\2/SC(=S)N(C2=O)CCC(=O)OCCCCCCCC)/C1=O

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Molecular Weight: 630.92
Empirical Formula: C28H42N2O6S4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.129
Rotatable bonds: 22
H-donors: 0
H-acceptors: 6
PSA: 208
Number of rings: 2

     

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