COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373623
Chemical Name: pentyl4-(4,5-dimethoxy-2-nitrophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Smiles: CCCCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1[N+](=O)[O-])OC)C(=O)CC(C2)(C)C

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Molecular Weight: 486.57
Empirical Formula: C26H34N2O7

Physical State: Dry powder
Available Amount: 236 mg

Lipinsky:
logP: 4.739
Rotatable bonds: 9
H-donors: 1
H-acceptors: 7
PSA: 119
Number of rings: 3

     

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