COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL170707
Chemical Name: 5-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-2,4-dimethylbenzylacetate
Smiles: N#C/C(=C\c1cc(COC(=O)C)c(cc1C)C)/C(=O)N

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Molecular Weight: 272.3
Empirical Formula: C15H16N2O3

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 1.636
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 93
Number of rings: 1

     

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