COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743827
Chemical Name: methyl4-{[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1C)Cn1c(C)ncc1[N+](=O)[O-]

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Molecular Weight: 445.46
Empirical Formula: C18H19N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.618
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 175
Number of rings: 3

     

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