COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800445
Chemical Name: (3Z)-5-bromo-1-butyl-3-[2-(3-chlorophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Smiles: CCCCN1c2ccc(cc2/C(=c\2/sc3n(c2=O)nc(n3)c2cccc(c2)Cl)/C1=O)Br

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Saltdata: 1/6DMF
Molecular Weight: 515.82
Empirical Formula: C22H16BrClN4O2S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 6.413
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 5

     

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