COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK465168
Chemical Name: 3-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(nnc1c1csc2c1CCCC2)SCn1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 402.5
Empirical Formula: C17H18N6O2S2

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 5.419
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 147
Number of rings: 4

     

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