COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK176156
Chemical Name: methyl3-nitro-5-[(2,4,4-trimethylpentan-2-yl)carbamoyl]benzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(CC(C)(C)C)(C)C

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Molecular Weight: 336.39
Empirical Formula: C17H24N2O5

Physical State: Dry powder
Available Amount: 441 mg

Lipinsky:
logP: 3.904
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 1

     

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