COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678220
Chemical Name: 3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Smiles: OCCN1CC2([N+](=O)[O-])C(=O)c3c(C(C1)(C2CC(=O)C)[N+](=O)[O-])cccc3

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Molecular Weight: 377.35
Empirical Formula: C17H19N3O7

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 3.419
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 149
Number of rings: 3

     

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