COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK685810
Chemical Name: 3-(1,3-benzodioxol-5-yl)-3-{[(4-nitrophenyl)acetyl]amino}propanoicacid
Smiles: O=C(NC(c1ccc2c(c1)OCO2)CC(=O)O)Cc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 372.33
Empirical Formula: C18H16N2O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.776
Rotatable bonds: 6
H-donors: 2
H-acceptors: 7
PSA: 130
Number of rings: 3

     

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