COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087907
Chemical Name: methyl3-[(2-ethylhexyl)carbamoyl]-5-nitrobenzoate
Smiles: CCCCC(CNC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])CC

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Molecular Weight: 336.39
Empirical Formula: C17H24N2O5

Physical State: Dry powder
Available Amount: 239 mg

Lipinsky:
logP: 4.452
Rotatable bonds: 9
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 1

     

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