COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408822
Chemical Name: methyl(2E)-2-{[4-(6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanoyl]imino}-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Smiles: COC(=O)c1[nH]/c(=N\C(=O)CCCc2nnc3n2nc(Cl)cc3)/sc1CC(C)C

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Molecular Weight: 436.92
Empirical Formula: C18H21ClN6O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.123
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 136
Number of rings: 3

     

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