COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051608
Chemical Name: methyl4-[(3-cyanophenyl)amino]-4-oxobutanoate
Smiles: COC(=O)CCC(=O)Nc1cccc(c1)C#N

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Molecular Weight: 232.24
Empirical Formula: C12H12N2O3

Physical State: Dry powder
Available Amount: 162 mg

Lipinsky:
logP: 1.468
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 1

     

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