COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK612475
Chemical Name: 2-[(3Z)-2-oxo-3-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)propyl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CN1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 404.42
Empirical Formula: C23H20N2O5

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.558
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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