COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455497
Chemical Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Smiles: COc1cc(ccc1NC(=S)NC(c1ccc2c(c1)OCO2)C)[N+](=O)[O-]

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Molecular Weight: 375.41
Empirical Formula: C17H17N3O5S

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 3.534
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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