COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK667603
Chemical Name: methyl(2Z)-4-(4-cyanophenyl)-2-hydroxy-4-oxobut-2-enoate
Smiles: COC(=O)/C(=C/C(=O)c1ccc(cc1)C#N)/O

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Molecular Weight: 231.21
Empirical Formula: C12H9NO4

Physical State: Dry powder
Available Amount: 1040 mg

Lipinsky:
logP: 0.737
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 1

     

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