COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826598
Chemical Name: 4-(4-methoxyphenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-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)c1ccc(cc1)OC

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Molecular Weight: 488.61
Empirical Formula: C28H28N2O4S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 4.828
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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