COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585341
Chemical Name: (2E)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-[2-(thiophen-2-yl)quinolin-4-yl]ethanone
Smiles: O=C(c1cc(nc2c1cccc2)c1cccs1)/C=C\1/NCCc2c1cc1OCOc1c2

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Molecular Weight: 426.5
Empirical Formula: C25H18N2O3S

Physical State: Dry powder
Available Amount: 322 mg

Lipinsky:
logP: 5.308
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 88
Number of rings: 6

     

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