COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674305
Chemical Name: 2-[(Z)-(2-{4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]-4,6-dinitrophenol
Smiles: Fc1ccc(cc1)Nc1nc(N/N=C\c2cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-])nc(n1)N(C)C

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Saltdata: HCl
Molecular Weight: 457.38
Empirical Formula: C18H16FN9O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.27
Rotatable bonds: 2
H-donors: 3
H-acceptors: 5
PSA: 190
Number of rings: 3

     

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