COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK036736
Chemical Name: tetra-tert-butyl2,2'-[6-(propan-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(nitropropanedioate)
Smiles: CC(Nc1nc(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-])C

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Molecular Weight: 656.69
Empirical Formula: C28H44N6O12

Physical State: Dry powder
Available Amount: 63 mg

Lipinsky:
logP: 13.75
Rotatable bonds: 11
H-donors: 1
H-acceptors: 12
PSA: 247
Number of rings: 1

     

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