COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL248544
Chemical Name: 2-(1,1-dioxidotetrahydrothiophen-3-yl)-6-[(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)carbonyl]-4,5-dihydropyridazin-3(2H)-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)C1=NN(C(=O)CC1)C1CCS(=O)(=O)C1

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Molecular Weight: 397.5
Empirical Formula: C18H27N3O5S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -2.808
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 115
Number of rings: 4

     

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