COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033913
Chemical Name: (2Z)-2-(4-tert-butylbenzylidene)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-benzofuran-3(2H)-one
Smiles: OCCN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)C(C)(C)C)/C2=O

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Saltdata: HCl
Molecular Weight: 436.55
Empirical Formula: C26H32N2O4

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 3.094
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 73
Number of rings: 4

     

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