COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072172
Chemical Name: butane-1,4-diylbis[4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate]
Smiles: O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OCCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C

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Molecular Weight: 764.87
Empirical Formula: C44H48N2O10

Physical State: Dry powder
Available Amount: 361 mg

Lipinsky:
logP: 5.686
Rotatable bonds: 11
H-donors: 2
H-acceptors: 10
PSA: 147
Number of rings: 8

     

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