COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025245
Chemical Name: 2-(benzylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 460.6
Empirical Formula: C27H28N2O3S

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 4.597
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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