COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK025029
Chemical Name: 7,7-dimethyl-2-[(4-methylbenzyl)sulfanyl]-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCc2ccc(cc2)C)NC2=C(C1c1cccs1)C(=O)CC(C2)(C)C

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Molecular Weight: 420.6
Empirical Formula: C24H24N2OS2

Physical State: Dry powder
Available Amount: 209 mg

Lipinsky:
logP: 4.998
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 106
Number of rings: 4

     

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