COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK957965
Chemical Name: ethyl4-cyano-3-methyl-5-({(Z)-[3-methyl-5-oxo-1-(2,4,6-trichlorophenyl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)thiophene-2-carboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C#N)N/C=C\1/C(=NN(C1=O)c1c(Cl)cc(cc1Cl)Cl)C

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Molecular Weight: 497.79
Empirical Formula: C20H15Cl3N4O3S

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 5.386
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 123
Number of rings: 3

     

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