COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK080045
Chemical Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 384.5
Empirical Formula: C21H24N2O3S

Physical State: Dry powder
Available Amount: 517 mg

Lipinsky:
logP: 2.672
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 3

     

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