COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL554020
Chemical Name: (2E)-2-cyano-N-(2,3-dimethylphenyl)-3-[5-nitro-2-(pyrrolidin-1-yl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc(ccc1N1CCCC1)[N+](=O)[O-])/C(=O)Nc1cccc(c1C)C

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Molecular Weight: 390.44
Empirical Formula: C22H22N4O3

Physical State: Dry powder
Available Amount: 2000 mg

Lipinsky:
logP: 5.123
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 101
Number of rings: 3

     

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