COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061969
Chemical Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-[(4-methylbenzyl)sulfanyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 474.62
Empirical Formula: C28H30N2O3S

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 5.057
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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