COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK819585
Chemical Name: (3Z)-5-bromo-1-butyl-3-[2-(3,4-dimethoxyphenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-1,3-dihydro-2H-indol-2-one
Smiles: CCCCN1C(=O)/C(=c/2\sc3n(c2=O)nc(n3)c2ccc(c(c2)OC)OC)/c2c1ccc(c2)Br

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Saltdata: 1/3CH3COOH
Molecular Weight: 541.43
Empirical Formula: C24H21BrN4O4S

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 5.855
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 5

     

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