COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536001
Chemical Name: methyl2,4-dimethyl-5-[(2E)-3-(3-nitrophenyl)prop-2-enoyl]-1H-pyrrole-3-carboxylate
Smiles: COC(=O)c1c(C)[nH]c(c1C)C(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 328.32
Empirical Formula: C17H16N2O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 3.669
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 104
Number of rings: 2

     

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