COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK092346
Chemical Name: (5E)-2-amino-5-(1,3-benzodioxol-5-ylmethylidene)-4,6-dimethyl-5H-cyclopenta[b]pyridine-3,7-dicarbonitrile
Smiles: N#CC1=C(C)/C(=C\c2ccc3c(c2)OCO3)/c2c1nc(N)c(c2C)C#N

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Molecular Weight: 342.36
Empirical Formula: C20H14N4O2

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 5.634
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 104
Number of rings: 4

     

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