COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL484888
Chemical Name: (2E)-2-(4-bromophenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc(OC)c(c(c1)[N+](=O)[O-])O)/c1ccc(cc1)Br

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Molecular Weight: 375.18
Empirical Formula: C16H11BrN2O4

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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