COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL319109
Chemical Name: 2-{[4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]methyl}-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Smiles: COc1c(OC)ccc(c1OC)CN1CCN(CC1)Cn1nc2CCCCCc2cc1=O

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Molecular Weight: 442.56
Empirical Formula: C24H34N4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.209
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 66
Number of rings: 4

     

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