COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL161490
Chemical Name: 2-(1,1-dioxidotetrahydrothiophen-3-yl)-6-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonyl)-4,5-dihydropyridazin-3(2H)-one
Smiles: O=C1CCC(=NN1C1CCS(=O)(=O)C1)C(=O)N1CCN(CC1)C/C=C/c1ccccc1

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Molecular Weight: 444.55
Empirical Formula: C22H28N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.78
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 4

     

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