COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK032754
Chemical Name: 2-phenoxyethyl4-[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)OCCOc1ccccc1

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Molecular Weight: 567.68
Empirical Formula: C35H37NO6

Physical State: Dry powder
Available Amount: 346 mg

Lipinsky:
logP: 5.986
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 83
Number of rings: 5

     

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