COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK415177
Chemical Name: methyl4-[(1E)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-yl]benzoate
Smiles: N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)C(C)(C)C

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Molecular Weight: 271.32
Empirical Formula: C16H17NO3

Physical State: Dry powder
Available Amount: 523 mg

Lipinsky:
logP: 3.03
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 1

     

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