COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK136168
Chemical Name: N-{(E)-[(2-bromophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene}-2-chloro-5-nitrobenzamide
Smiles: Cc1nc(N/C(=N/C(=O)c2cc(ccc2Cl)[N+](=O)[O-])/Nc2ccccc2Br)nc(c1)C

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Molecular Weight: 503.74
Empirical Formula: C20H16BrClN6O3

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 4.413
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 125
Number of rings: 3

     

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