COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK736111
Chemical Name: 3-[(4-tert-butylphenoxy)methyl]-6-(3-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Smiles: [O-][N+](=O)c1cccc(c1)C1=Nn2c(SC1)nnc2COc1ccc(cc1)C(C)(C)C

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Molecular Weight: 423.5
Empirical Formula: C21H21N5O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.719
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 123
Number of rings: 4

     

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