COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK251397
Chemical Name: 3-methoxy-N-{[4-methyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Smiles: COc1cccc(c1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 456.48
Empirical Formula: C20H20N6O5S

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 2.677
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 169
Number of rings: 3

     

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