COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK293066
Chemical Name: (2E)-2-(1,3-benzodioxol-5-yl)-3-[3-bromo-4-(dimethylamino)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)Br)N(C)C)/c1ccc2c(c1)OCO2

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Molecular Weight: 371.23
Empirical Formula: C18H15BrN2O2

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 6.305
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 45
Number of rings: 3

     

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