COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK402536
Chemical Name: 2-(propan-2-yloxy)ethyl4-[4-(methoxycarbonyl)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COC(=O)c1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOC(C)C

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Molecular Weight: 455.55
Empirical Formula: C26H33NO6

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 3.229
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 90
Number of rings: 3

     

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