COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK068414
Chemical Name: 2-(ethylsulfanyl)ethyl4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C

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Molecular Weight: 443.56
Empirical Formula: C24H29NO5S

Physical State: Dry powder
Available Amount: 341 mg

Lipinsky:
logP: 3.933
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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