COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013141
Chemical Name: N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-nitrophenyl)butanediamide
Smiles: O=C(NCc1ccc2c(c1)OCO2)CCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 371.35
Empirical Formula: C18H17N3O6

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 2.355
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 122
Number of rings: 3

     

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