COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL134866
Chemical Name: (2E)-3-(1,3-benzodioxol-5-ylamino)-2-cyano-3-(methylsulfanyl)prop-2-enamide
Smiles: CS/C(=C(/C(=O)N)\C#N)/Nc1ccc2c(c1)OCO2

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Molecular Weight: 277.3
Empirical Formula: C12H11N3O3S

Physical State: Dry powder
Available Amount: 618 mg

Lipinsky:
logP: -0.137
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 122
Number of rings: 2

     

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