COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150808
Chemical Name: N-[(1E)-1-(1,3-benzodioxol-5-yl)-3-{(2E)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccc2c(c1)OCO2)/NC(=O)c1ccccc1)N/N=C/c1ccc(s1)[N+](=O)[O-]

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Molecular Weight: 464.46
Empirical Formula: C22H16N4O6S

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 4.865
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 163
Number of rings: 4

     

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