COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505538
Chemical Name: 4-nitro-2-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol
Smiles: Oc1ccc(cc1/C=N/Nc1nc(Nc2ccc(cc2)[N+](=O)[O-])nc(n1)Nc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 487.43
Empirical Formula: C22H17N9O5

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 4.726
Rotatable bonds: 2
H-donors: 4
H-acceptors: 5
PSA: 198
Number of rings: 4

     

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