COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680071
Chemical Name: [1,5-dinitro-6-oxo-11-(2-oxopropyl)-1,4,5,6-tetrahydro-1,5-methano-3-benzazocin-3(2H)-yl]aceticacid
Smiles: OC(=O)CN1CC2([N+](=O)[O-])C(=O)c3c(C(C1)(C2CC(=O)C)[N+](=O)[O-])cccc3

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Molecular Weight: 391.34
Empirical Formula: C17H17N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.994
Rotatable bonds: 5
H-donors: 1
H-acceptors: 8
PSA: 166
Number of rings: 3

     

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