COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL181280
Chemical Name: methyl4,5-dimethyl-2-({[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]carbonyl}amino)thiophene-3-carboxylate
Smiles: COC(=O)c1c(sc(c1C)C)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 452.45
Empirical Formula: C20H16N6O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.627
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 172
Number of rings: 4

     

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