COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK668388
Chemical Name: 2-(4-methylphenyl)-6-nitro-3,5-bis(3-nitrophenyl)-2,3,4,5-tetrahydro-1,2,4-triazine
Smiles: Cc1ccc(cc1)N1N=C([N+](=O)[O-])C(NC1c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 462.42
Empirical Formula: C22H18N6O6

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 3.176
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 165
Number of rings: 4

     

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