COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886406
Chemical Name: ethyl4-[({[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC

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Molecular Weight: 545.66
Empirical Formula: C30H31N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.562
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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