COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042350
Chemical Name: 2-(ethylsulfanyl)-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CCSC1=C(C#N)C(C2=C(CCCC2=N1)O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 400.5
Empirical Formula: C21H24N2O4S

Physical State: Dry powder
Available Amount: 294 mg

Lipinsky:
logP: 3.335
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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