COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK575740
Chemical Name: 2-(butylsulfanyl)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CCCCSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1ccc(c(c1)OC)O

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Molecular Weight: 384.5
Empirical Formula: C21H24N2O3S

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 3.927
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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