COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL497100
Chemical Name: 1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-{[3-(propan-2-yl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}ethanone
Smiles: Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)CSc1ccc2n(n1)c(nn2)C(C)C

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Molecular Weight: 445.97
Empirical Formula: C21H24ClN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.617
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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