COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK377030
Chemical Name: 2-{[(E)-(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(cc1OC)[N+](=O)[O-]

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Molecular Weight: 371.42
Empirical Formula: C18H17N3O4S

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 4.996
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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