COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616749
Chemical Name: 5-ethyl-N-[(2S)-1-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Smiles: CSCC[C@@H](C(=O)NC(CO)(C)C)NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1

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Molecular Weight: 463.55
Empirical Formula: C22H29N3O6S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 0.785
Rotatable bonds: 9
H-donors: 3
H-acceptors: 6
PSA: 142
Number of rings: 3

     

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