COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK331276
Chemical Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3,5-dinitrobenzamide
Smiles: CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C

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Molecular Weight: 414.44
Empirical Formula: C19H18N4O5S

Physical State: Dry powder
Available Amount: 818 mg

Lipinsky:
logP: 5.473
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 172
Number of rings: 3

     

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