COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806715
Chemical Name: (2E)-3-(3-nitrophenyl)-1-[3-(prop-2-yn-1-ylsulfanyl)-4H-1,2,4-triazol-4-yl]prop-2-en-1-one
Smiles: C#CCSc1nncn1C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 314.32
Empirical Formula: C14H10N4O3S

Physical State: Dry powder
Available Amount: 268 mg

Lipinsky:
logP: 3.052
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 2

     

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