COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK242137
Chemical Name: (2E)-2-(azepan-1-ylcarbonyl)-3-[5-nitro-2-(pyrrolidin-1-yl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(ccc1N1CCCC1)[N+](=O)[O-])/C(=O)N1CCCCCC1

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Molecular Weight: 368.44
Empirical Formula: C20H24N4O3

Available Amount: 0 mg

Lipinsky:
logP: 3.774
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 3

     

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