COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553019
Chemical Name: 5-[(3E)-4-(1H-indol-3-yl)-2-oxobut-3-en-1-yl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CC(=O)/C=C/c1c[nH]c3c1cccc3)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 419.5
Empirical Formula: C25H27N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.126
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 60
Number of rings: 5

     

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