COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK154178
Chemical Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CSc1nnc(n1C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 528.63
Empirical Formula: C28H28N6O3S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 5.396
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 5

     

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