COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK572553
Chemical Name: 2-[(4Z)-3-oxo-4-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 418.45
Empirical Formula: C24H22N2O5

Physical State: Dry powder
Available Amount: 274 mg

Lipinsky:
logP: 3.503
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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