COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK233687
Chemical Name: 2-amino-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1-(4H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1[nH]cnn1)C#N

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Molecular Weight: 390.44
Empirical Formula: C21H22N6O2

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 2.31
Rotatable bonds: 0
H-donors: 3
H-acceptors: 2
PSA: 120
Number of rings: 4

     

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