COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201489
Chemical Name: (2E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(n(c1C)c1ccc2c(c1)OCO2)C)/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 387.39
Empirical Formula: C22H17N3O4

Physical State: Dry powder
Available Amount: 137 mg

Lipinsky:
logP: 6.029
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 93
Number of rings: 4

     

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