COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054974
Chemical Name: 1,1'-(5-nitro-1,3,7-triazabicyclo[3.3.1]nonane-3,7-diyl)dihexadecan-1-one
Smiles: CCCCCCCCCCCCCCCC(=O)N1CN2CN(CC(C1)(C2)[N+](=O)[O-])C(=O)CCCCCCCCCCCCCCC

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Molecular Weight: 649.01
Empirical Formula: C38H72N4O4

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 15.389
Rotatable bonds: 28
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 2

     

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