COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL134861
Chemical Name: methyl2-{[(1E)-3-amino-2-cyano-1-(ethylsulfanyl)-3-oxoprop-1-en-1-yl]amino}benzoate
Smiles: CCS/C(=C(/C(=O)N)\C#N)/Nc1ccccc1C(=O)OC

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Molecular Weight: 305.36
Empirical Formula: C14H15N3O3S

Physical State: Dry powder
Available Amount: 690 mg

Lipinsky:
logP: 1.286
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 130
Number of rings: 1

     

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