COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727118
Chemical Name: (2-chlorophenyl)(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)methanone
Smiles: [O-][N+](=O)c1ccc(cc1Sc1nncn1C)N1CCN(CC1)C(=O)c1ccccc1Cl

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Molecular Weight: 458.93
Empirical Formula: C20H19ClN6O3S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.347
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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