COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL452540
Chemical Name: methyl4-[({[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nnc(n1n1cccc1)c1cccs1

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Molecular Weight: 439.52
Empirical Formula: C20H17N5O3S2

Available Amount: 0 mg

Lipinsky:
logP: 5.91
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 144
Number of rings: 4

     

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