COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL274438
Chemical Name: 3-[(3-methylbenzyl)sulfanyl]-6-[(4-nitrophenyl)amino]-4-(1H-pyrrol-1-yl)-1,2,4-triazin-5(4H)-one
Smiles: Cc1cccc(c1)CSc1nnc(c(=O)n1n1cccc1)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 434.48
Empirical Formula: C21H18N6O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.431
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 133
Number of rings: 4

     

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