COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674147
Chemical Name: [(3Z)-3-amino-4-cyano-5-ethoxy-5-oxo-N-(pyridin-2-yl-kappaN)pent-3-enimidato-kappaO](dibutyl)boron
Smiles: CCCC[B-]1(CCCC)OC(=Nc2[n+]1cccc2)C/C(=C(/C(=O)OCC)\C#N)/N

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Molecular Weight: 398.31
Empirical Formula: C21H31BN4O3

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0
Rotatable bonds: 11
H-donors: 2
H-acceptors: 3
PSA: 106
Number of rings: 2

     

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