COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK773167
Chemical Name: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(dimethylamino)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(N)N(N(C)C)C2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C

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Molecular Weight: 380.45
Empirical Formula: C21H24N4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.605
Rotatable bonds: 1
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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