COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK376642
Chemical Name: 2-phenylethyl4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OCCc1ccccc1

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Molecular Weight: 459.54
Empirical Formula: C28H29NO5

Physical State: Dry powder
Available Amount: 204 mg

Lipinsky:
logP: 4.73
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 5

     

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