COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL033231
Chemical Name: (2Z)-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-[4-(propan-2-yl)benzylidene]-1-benzofuran-3(2H)-one
Smiles: OCCN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1ccc(cc1)C(C)C)/C2=O

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Saltdata: 2HCl
Molecular Weight: 422.52
Empirical Formula: C25H30N2O4

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 2.745
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 73
Number of rings: 4

     

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