COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK509519
Chemical Name: (3Z)-3-[2-(5-bromothiophen-2-yl)-2-oxoethylidene]-1-ethyl-5-nitro-1,3-dihydro-2H-indol-2-one
Smiles: CCN1c2ccc(cc2/C(=C/C(=O)c2ccc(s2)Br)/C1=O)[N+](=O)[O-]

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Molecular Weight: 407.24
Empirical Formula: C16H11BrN2O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.426
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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