COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051016
Chemical Name: benzyl4-[4-(benzyloxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCc1ccccc1

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Molecular Weight: 537.66
Empirical Formula: C34H35NO5

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 5.545
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 5

     

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