COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177098
Chemical Name: (5E)-2-amino-5-[4-(2,4-dinitrophenoxy)benzylidene]-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/c2c1nc(N)c(c2C)C#N

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Molecular Weight: 480.44
Empirical Formula: C25H16N6O5

Physical State: Dry powder
Available Amount: 545 mg

Lipinsky:
logP: 6.565
Rotatable bonds: 1
H-donors: 2
H-acceptors: 5
PSA: 187
Number of rings: 4

     

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