COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404862
Chemical Name: 3-butan-2-yl6-methyl2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)C(C(C2)C)C(=O)OC)C

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Molecular Weight: 425.52
Empirical Formula: C25H31NO5

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 3.994
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 81
Number of rings: 3

     

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