COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815207
Chemical Name: (3Z)-1-benzyl-5-bromo-3-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
Smiles: CCCCCCCCN1C(=S)S/C(=C\2/c3cc(Br)ccc3N(C2=O)Cc2ccccc2)/C1=O

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Saltdata: 1/3CH3COOH
Molecular Weight: 543.55
Empirical Formula: C26H27BrN2O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.333
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 4

     

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