COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616445
Chemical Name: 2-(2-phenoxyethyl)-6-[(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)acetyl]pyridazin-3(2H)-one
Smiles: O=C(c1ccc(=O)n(n1)CCOc1ccccc1)/C=C/1\NCCc2c1cc1OCCCOc1c2

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Molecular Weight: 459.5
Empirical Formula: C26H25N3O5

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.941
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 89
Number of rings: 5

     

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