COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK608006
Chemical Name: 6-[(2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)acetyl]-2-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5-dihydropyridazin-3(2H)-one
Smiles: O=C1CCC(=NN1C1CCS(=O)(=O)C1)C(=O)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 431.47
Empirical Formula: C20H21N3O6S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: -1.136
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 122
Number of rings: 5

     

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