COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755215
Chemical Name: methyl(2E)-3-{3-[(acetyloxy)methyl]-2,4,6-trimethylphenyl}-2-cyanoprop-2-enoate
Smiles: N#C/C(=C\c1c(C)cc(c(c1C)COC(=O)C)C)/C(=O)OC

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Molecular Weight: 301.34
Empirical Formula: C17H19NO4

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 2.919
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 76
Number of rings: 1

     

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