COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK424457
Chemical Name: 4-oxo-4-[(6-{(1E)-1-[2-(thiophen-2-ylcarbonyl)hydrazinylidene]ethyl}-1,3-benzodioxol-5-yl)amino]butanoicacid
Smiles: O=C(Nc1cc2OCOc2cc1/C(=N/NC(=O)c1cccs1)/C)CCC(=O)O

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Molecular Weight: 403.42
Empirical Formula: C18H17N3O6S

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 2.13
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 154
Number of rings: 3

     

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