COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431175
Chemical Name: 2-({(E)-[4-(diethylamino)-3-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Smiles: CCN(c1ccc(cc1[N+](=O)[O-])/C=N/c1sc2c(c1C#N)CCCC2)CC

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Molecular Weight: 382.49
Empirical Formula: C20H22N4O2S

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 5.506
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 113
Number of rings: 3

     

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