COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313429
Chemical Name: 2-({4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Smiles: Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1)Cn1nc2CCCCCc2cc1=O

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Molecular Weight: 436.96
Empirical Formula: C20H25ClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.297
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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