COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839470
Chemical Name: (2Z)-2-cyano-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(3-nitrophenyl)ethanamide
Smiles: N#C/C(=C\1/NC(C)(C)Cc2c1cccc2)/C(=O)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 362.39
Empirical Formula: C20H18N4O3

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 3.589
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 110
Number of rings: 3

     

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