COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK371338
Chemical Name: pentyl4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C

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Molecular Weight: 425.52
Empirical Formula: C25H31NO5

Physical State: Dry powder
Available Amount: 230 mg

Lipinsky:
logP: 4.663
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 73
Number of rings: 4

     

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