COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372283
Chemical Name: (2E)-3-(4-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
Smiles: COCCNC(=O)/C(=C/c1ccc(cc1)OCC(=O)Nc1cccc(c1)Cl)/C#N

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Molecular Weight: 413.86
Empirical Formula: C21H20ClN3O4

Physical State: Dry powder
Available Amount: 458 mg

Lipinsky:
logP: 2.375
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 100
Number of rings: 2

     

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