COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK877397
Chemical Name: (2E)-1-(4-bromophenyl)-3-[(4-chloro-3-nitrophenyl)amino]but-2-en-1-one
Smiles: C/C(=C\C(=O)c1ccc(cc1)Br)/Nc1ccc(c(c1)[N+](=O)[O-])Cl

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Molecular Weight: 395.64
Empirical Formula: C16H12BrClN2O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.575
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 74
Number of rings: 2

     

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