COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813562
Chemical Name: (3Z)-5-bromo-3-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-propyl-1,3-dihydro-2H-indol-2-one
Smiles: CCCCCCCN1C(=S)S/C(=C\2/c3cc(Br)ccc3N(C2=O)CCC)/C1=O

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Saltdata: 1/3CH3COOH
Molecular Weight: 481.48
Empirical Formula: C21H25BrN2O2S2

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 5.071
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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