COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885653
Chemical Name: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1cc(cc(c1OC)OC)C1C(=C(SCC(=O)c2ccc(cc2)Cl)NC2=C1C(=O)CC(C2)(C)C)C#N

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Molecular Weight: 553.08
Empirical Formula: C29H29ClN2O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.962
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 4

     

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