COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233688
Chemical Name: 2-amino-7,7-dimethyl-5-oxo-4-phenyl-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)c1[nH]cnn1

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Molecular Weight: 360.42
Empirical Formula: C20H20N6O

Physical State: Dry powder
Available Amount: 439 mg

Lipinsky:
logP: 2.395
Rotatable bonds: 0
H-donors: 3
H-acceptors: 1
PSA: 111
Number of rings: 4

     

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