COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK444857
Chemical Name: (2E)-2-cyano-3-[1-(2,4-dichlorobenzyl)-1H-pyrrol-2-yl]-N-(2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cccn1Cc1ccc(cc1Cl)Cl)/C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 441.27
Empirical Formula: C21H14Cl2N4O3

Physical State: Dry powder
Available Amount: 604 mg

Lipinsky:
logP: 5.342
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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