COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195842
Chemical Name: 2-(3-{(E)-[2-(2,4-dinitrophenyl)hydrazinylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
Smiles: [O-][N+](=O)c1cc(ccc1N/N=C/c1cc(n(c1C)c1sc2c(c1C(=O)O)CCCC2)C)[N+](=O)[O-]

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Molecular Weight: 483.5
Empirical Formula: C22H21N5O6S

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 7.637
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 186
Number of rings: 4

     

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