COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK058674
Chemical Name: 4-methoxybenzyl2,7,7-trimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1[N+](=O)[O-])C(=O)CC(C2)(C)C

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Molecular Weight: 520.54
Empirical Formula: C28H28N2O8

Physical State: Dry powder
Available Amount: 343 mg

Lipinsky:
logP: 4.069
Rotatable bonds: 4
H-donors: 1
H-acceptors: 8
PSA: 128
Number of rings: 5

     

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