COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK402909
Chemical Name: 2-phenylethyl4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)OCCc1ccccc1

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Molecular Weight: 513.61
Empirical Formula: C30H27NO5S

Physical State: Dry powder
Available Amount: 187 mg

Lipinsky:
logP: 5.04
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 6

     

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