COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673806
Chemical Name: [(2E,6E)-3-amino-7-(dimethylamino)-4-[1-(hydroxy-kappaO)ethylidene]-5-(oxo-kappaO)hepta-2,6-dienenitrilato](diphenyl)boron
Smiles: N#C/C=C(\C1=C(C)O[B-]([O+]=C1/C=C/N(C)C)(c1ccccc1)c1ccccc1)/N

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Molecular Weight: 385.27
Empirical Formula: C23H24BN3O2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 0
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 62
Number of rings: 3

     

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