COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527312
Chemical Name: methyl4-[(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)/N=C/1\C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C

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Molecular Weight: 353.46
Empirical Formula: C22H27NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.095
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 55
Number of rings: 2

     

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