COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL134865
Chemical Name: (2E)-3-[(5-chloro-2-methoxyphenyl)amino]-2-cyano-3-(methylsulfanyl)prop-2-enamide
Smiles: CS/C(=C(/C(=O)N)\C#N)/Nc1cc(Cl)ccc1OC

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Molecular Weight: 297.77
Empirical Formula: C12H12ClN3O2S

Physical State: Dry powder
Available Amount: 664 mg

Lipinsky:
logP: 0.676
Rotatable bonds: 3
H-donors: 3
H-acceptors: 2
PSA: 113
Number of rings: 1

     

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