COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK093463
Chemical Name: 4-(5-{(1E)-2-cyano-3-[(2-methyl-5-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoicacid
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)O)/C(=O)Nc1cc(ccc1C)[N+](=O)[O-]

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Molecular Weight: 417.38
Empirical Formula: C22H15N3O6

Physical State: Dry powder
Available Amount: 455 mg

Lipinsky:
logP: 5.416
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 149
Number of rings: 3

     

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