COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826512
Chemical Name: 2-(butylsulfanyl)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 456.61
Empirical Formula: C25H32N2O4S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 3.968
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 105
Number of rings: 3

     

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