COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL160954
Chemical Name: 2-{2-[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]-2-oxoethyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Smiles: O=C(N1CCN(CC1)C1CCS(=O)(=O)C1)Cn1nc2CCCCCc2cc1=O

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Molecular Weight: 408.52
Empirical Formula: C19H28N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -0.986
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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