COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313207
Chemical Name: methyl(2E)-2-{[3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)butanoyl]imino}-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1[nH]/c(=N\C(=O)CC(c2ccc(cc2)Cl)Cn2cccc2)/sc1C

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Molecular Weight: 417.92
Empirical Formula: C20H20ClN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.824
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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