COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023074
Chemical Name: N-{(1Z)-3-[(2E)-2-(3-bromo-2-hydroxy-5-nitrobenzylidene)hydrazinyl]-1-[4-(dimethylamino)phenyl]-3-oxoprop-1-en-2-yl}benzamide
Smiles: O=C(/C(=C/c1ccc(cc1)N(C)C)/NC(=O)c1ccccc1)N/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

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Molecular Weight: 552.38
Empirical Formula: C25H22BrN5O5

Physical State: Dry powder
Available Amount: 601 mg

Lipinsky:
logP: 6.95
Rotatable bonds: 3
H-donors: 3
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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