COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK841779
Chemical Name: 1-(3-nitrophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1ccncc1

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Molecular Weight: 381.42
Empirical Formula: C18H15N5O3S

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 3.734
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 131
Number of rings: 3

     

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