COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK568101
Chemical Name: 5-hydroxy-7,7-dimethyl-2-(methylsulfanyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: CSC1=C(C#N)C(C2=C(CC(CC2=N1)(C)C)O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 414.53
Empirical Formula: C22H26N2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.836
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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