COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002910
Chemical Name: tetra-tert-butyl2,2'-[6-(morpholin-4-yl)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Smiles: [O-][N+](=O)C(c1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])N1CCOCC1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

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Molecular Weight: 684.7
Empirical Formula: C29H44N6O13

Physical State: Dry powder
Available Amount: 28 mg

Lipinsky:
logP: 13.958
Rotatable bonds: 10
H-donors: 0
H-acceptors: 13
PSA: 247
Number of rings: 2

     

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