COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK627291
Chemical Name: (2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Smiles: OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)CC)/C2=O

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Molecular Weight: 447.53
Empirical Formula: C26H29N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.259
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 82
Number of rings: 5

     

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