COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL242107
Chemical Name: 2-(2-oxo-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Smiles: O=C(N1CCN(CC1)C/C=C/c1ccccc1)Cn1nc2CCCCCc2cc1=O

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Molecular Weight: 406.53
Empirical Formula: C24H30N4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.353
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 56
Number of rings: 4

     

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