COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056299
Chemical Name: tetra-tert-butyl2,2'-{6-[(2-aminoethyl)amino]-1,3,5-triazine-2,4-diyl}bis(nitropropanedioate)
Smiles: NCCNc1nc(nc(n1)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 657.68
Empirical Formula: C27H43N7O12

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 12.299
Rotatable bonds: 12
H-donors: 3
H-acceptors: 12
PSA: 273
Number of rings: 1

     

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