COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL409453
Chemical Name: 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-(6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-1-one
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)CCCc1nnc2n1nc(Cl)cc2

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Molecular Weight: 434.32
Empirical Formula: C20H21Cl2N5O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.672
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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