COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886398
Chemical Name: 2-(butylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCCCSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC

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Molecular Weight: 396.55
Empirical Formula: C23H28N2O2S

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.444
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 87
Number of rings: 3

     

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