COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK222926
Chemical Name: N-(2-methoxy-5-nitrophenyl)-1-[4-(methylsulfanyl)benzyl]piperidin-4-amine
Smiles: COc1ccc(cc1NC1CCN(CC1)Cc1ccc(cc1)SC)[N+](=O)[O-]

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Saltdata: C2H2O4
Molecular Weight: 387.5
Empirical Formula: C20H25N3O3S

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 4.566
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 95
Number of rings: 3

     

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