COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472710
Chemical Name: propan-2-yl2-{[(2E)-3-(5-bromo-2-propoxyphenyl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: CCCOc1ccc(cc1/C=C(/C(=O)Nc1sccc1C(=O)OC(C)C)\C#N)Br

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Molecular Weight: 477.38
Empirical Formula: C21H21BrN2O4S

Physical State: Dry powder
Available Amount: 261 mg

Lipinsky:
logP: 7.834
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 2

     

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