COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK114469
Chemical Name: N-(2-cyanophenyl)-4,5-dimethoxy-2-nitrobenzamide
Smiles: COc1cc(C(=O)Nc2ccccc2C#N)c(cc1OC)[N+](=O)[O-]

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Molecular Weight: 327.3
Empirical Formula: C16H13N3O5

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 2.586
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 2

     

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