COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442906
Chemical Name: (3E)-6-(butan-2-yl)-3-[2-(4-methylphenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Smiles: CCC(c1ccc2c(c1)[nH]/c(=C/C(=O)c1ccc(cc1)C)/c(=O)o2)C

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Molecular Weight: 335.4
Empirical Formula: C21H21NO3

Physical State: Dry powder
Available Amount: 506 mg

Lipinsky:
logP: 3.881
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 55
Number of rings: 3

     

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