COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826304
Chemical Name: 7,7-dimethyl-2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)C)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(C)C

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Molecular Weight: 532.66
Empirical Formula: C30H32N2O5S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 4.737
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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