COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130331
Chemical Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: CCn1c(SCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccccc2)nnc1c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 542.66
Empirical Formula: C29H30N6O3S

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 5.878
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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