COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683673
Chemical Name: diethyl4-(1,3-benzodioxol-5-yl)-5-oxo-2-propyl-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OCC)CCC

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Molecular Weight: 537.63
Empirical Formula: C29H31NO7S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.112
Rotatable bonds: 10
H-donors: 1
H-acceptors: 7
PSA: 128
Number of rings: 5

     

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