COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL153205
Chemical Name: (4E)-4-{[(5-chloro-2-methoxyphenyl)amino]methylidene}-5-methyl-2-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1ccc(cc1N/C=C/1\C(=NN(C1=O)c1ccc2n(n1)c(C)nn2)C)Cl

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Molecular Weight: 397.82
Empirical Formula: C18H16ClN7O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.193
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 97
Number of rings: 4

     

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