COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998591
Chemical Name: 4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-(propylsulfanyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC

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Molecular Weight: 382.53
Empirical Formula: C22H26N2O2S

Available Amount: 0 mg

Lipinsky:
logP: 3.913
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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