COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL226702
Chemical Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]-4-nitrobenzamide
Smiles: C=CCn1c(C)c(c(c1NC(=O)c1ccc(cc1)[N+](=O)[O-])S(=O)(=O)c1ccccc1)C

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Molecular Weight: 439.49
Empirical Formula: C22H21N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.122
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 122
Number of rings: 3

     

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