COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833402
Chemical Name: methyl4-cyano-3-{[(3,5-dinitrophenyl)carbonyl]amino}-1,5-dimethyl-1H-pyrrole-2-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])c(c(n1C)C)C#N

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Molecular Weight: 387.31
Empirical Formula: C16H13N5O7

Physical State: Dry powder
Available Amount: 288 mg

Lipinsky:
logP: 3.498
Rotatable bonds: 2
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 2

     

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