COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680861
Chemical Name: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)N2CCN(CC2)c2ccc(cc2)F)nnc1c1cccs1

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Molecular Weight: 443.57
Empirical Formula: C21H22FN5OS2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.234
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 107
Number of rings: 4

     

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