COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442223
Chemical Name: 1-(4-methylphenyl)-4-oxo-1,4,6,7,8,9,10,10a-octahydro[1,2,4]triazino[4,3-a]azepine-3-carbonitrile
Smiles: N#CC1=NN(c2ccc(cc2)C)C2N(C1=O)CCCCC2

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Molecular Weight: 282.35
Empirical Formula: C16H18N4O

Physical State: Dry powder
Available Amount: 3 mg

Lipinsky:
logP: 1.84
Rotatable bonds: 0
H-donors: 0
H-acceptors: 1
PSA: 59
Number of rings: 3

     

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