COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323935
Chemical Name: 4-[4-(dimethylamino)phenyl]-7,7-dimethyl-5-oxo-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(=S)[nH]c2c(c1c1ccc(cc1)N(C)C)C(=O)CC(C2)(C)C

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Molecular Weight: 351.47
Empirical Formula: C20H21N3OS

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 4.419
Rotatable bonds: 0
H-donors: 1
H-acceptors: 1
PSA: 88
Number of rings: 3

     

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