COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK404869
Chemical Name: 3-butan-2-yl6-methyl4-(1,3-benzodioxol-5-yl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Smiles: CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)C(C(C2)C)C(=O)OC)C

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Molecular Weight: 455.51
Empirical Formula: C25H29NO7

Physical State: Dry powder
Available Amount: 158 mg

Lipinsky:
logP: 3.395
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 100
Number of rings: 4

     

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