COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK749591
Chemical Name: N-[3-(benzylsulfanyl)-1-{(2E)-2-[(2E)-but-2-en-1-ylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide(non-preferredname)
Smiles: C/C=C/C=N/NC(=O)C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CSCc1ccccc1

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Molecular Weight: 471.49
Empirical Formula: C21H21N5O6S

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 4.551
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 187
Number of rings: 2

     

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