COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687742
Chemical Name: 3-(2-hydroxyethyl)-1,5-dinitro-11-(2-oxo-2-phenylethyl)-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)c1ccccc1)[N+](=O)[O-])cccc3

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Molecular Weight: 439.42
Empirical Formula: C22H21N3O7

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 5.103
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 149
Number of rings: 4

     

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