COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK488567
Chemical Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(3-nitrophenyl)thiourea
Smiles: S=C(NC(c1ccc2c(c1)OCO2)C)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 345.38
Empirical Formula: C16H15N3O4S

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 3.261
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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