COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL015490
Chemical Name: (5E)-2-amino-5-[(7-bromo-1,3-benzodioxol-5-yl)methylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Smiles: N#CC1=C(C)/C(=C\c2cc(Br)c3c(c2)OCO3)/c2c1nc(N)c(c2C)C#N

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Molecular Weight: 421.25
Empirical Formula: C20H13BrN4O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.43
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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