COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK232917
Chemical Name: 1-(4-benzylpiperazin-1-yl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)N2CCN(CC2)Cc2ccccc2)nnc1c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 478.58
Empirical Formula: C24H26N6O3S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 4.733
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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