COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311601
Chemical Name: 2-{[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Smiles: O=c1cc2CCCCCc2nn1CN1CCN(CC1)C1CCS(=O)(=O)C1

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Molecular Weight: 380.51
Empirical Formula: C18H28N4O3S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: -0.873
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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