COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525683
Chemical Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 488.61
Empirical Formula: C28H28N2O4S

Physical State: Dry powder
Available Amount: 278 mg

Lipinsky:
logP: 4.575
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 4

     

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