COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK200593
Chemical Name: 2-{[(E)-(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: N#Cc1c(/N=C/c2cc(Br)c(c(c2)[N+](=O)[O-])O)sc2c1CCCC2

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Molecular Weight: 406.26
Empirical Formula: C16H12BrN3O3S

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 5.461
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 130
Number of rings: 3

     

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