COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK167104
Chemical Name: (2E)-3-(3-nitrophenyl)-1-{2-[4-(propan-2-yl)phenyl]-2H-3,1-benzoxazin-1(4H)-yl}prop-2-en-1-one
Smiles: CC(c1ccc(cc1)C1OCc2c(N1C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])cccc2)C

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Molecular Weight: 428.49
Empirical Formula: C26H24N2O4

Physical State: Dry powder
Available Amount: 407 mg

Lipinsky:
logP: 6.258
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 75
Number of rings: 4

     

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