COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK067273
Chemical Name: 4-[(4-chloro-2-{(1E)-2-cyano-3-[(3-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(cc1)C(=O)O)/C(=O)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 477.86
Empirical Formula: C24H16ClN3O6

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 5.805
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 145
Number of rings: 3

     

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