COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826679
Chemical Name: 2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)C(=O)CSC1=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: 548.66
Empirical Formula: C30H32N2O6S

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 4.352
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 132
Number of rings: 4

     

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