COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL517072
Chemical Name: (1Z)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-4-(1H-indol-3-yl)butan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCOc1c2)CCc1c[nH]c2c1cccc2

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Molecular Weight: 360.41
Empirical Formula: C22H20N2O3

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.866
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 63
Number of rings: 5

     

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