COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK831927
Chemical Name: dimethyl2,2'-(5-amino-4,4,6-tricyano-3-methylcyclohexa-1,5-diene-1,3-diyl)diacetate
Smiles: COC(=O)CC1=CC(C)(CC(=O)OC)C(C(=C1C#N)N)(C#N)C#N

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Molecular Weight: 328.33
Empirical Formula: C16H16N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.542
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 149
Number of rings: 1

     

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