COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702406
Chemical Name: (3Z)-3-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC=C)/C1=O

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Molecular Weight: 414.59
Empirical Formula: C22H26N2O2S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 9
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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