COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL436918
Chemical Name: 2-{(2E)-2-[1-cyano-2-(4-methylphenyl)-2-oxoethylidene]hydrazinyl}benzoate
Smiles: N#C/C(=N\Nc1ccccc1C(=O)[O-])/C(=O)c1ccc(cc1)C

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Saltdata: Na+
Molecular Weight: 306.3
Empirical Formula: C17H12N3O3

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 4.075
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 105
Number of rings: 2

     

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