COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK095254
Chemical Name: trimethyl(1Z,3E)-3-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate
Smiles: COC(=O)/C(=c\1/[nH]c2ccccc2oc1=O)/C(=C/C(=O)OC)/C(=O)OC

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Molecular Weight: 361.31
Empirical Formula: C17H15NO8

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: -0.03
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 117
Number of rings: 2

     

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