COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK581769
Chemical Name: (2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-N-(thiophen-2-ylmethyl)ethanamide
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)NCc1cccs1

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Molecular Weight: 356.45
Empirical Formula: C19H20N2O3S

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 2.711
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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