COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK492669
Chemical Name: methyl5-carbamoyl-2-({(2E)-3-[5-chloro-2-(pentyloxy)phenyl]-2-cyanoprop-2-enoyl}amino)-4-methylthiophene-3-carboxylate
Smiles: CCCCCOc1ccc(cc1/C=C(/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N)\C#N)Cl

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Molecular Weight: 489.98
Empirical Formula: C23H24ClN3O5S

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 7.329
Rotatable bonds: 10
H-donors: 3
H-acceptors: 5
PSA: 159
Number of rings: 2

     

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