COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552835
Chemical Name: 5-[(3E)-4-(3,4-dimethoxyphenyl)-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: COc1cc(/C=C/C(=O)CC2c3c(CC[N+]2(C)C)cc2c(c3OC)OCO2)ccc1OC

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Saltdata: I-
Molecular Weight: 440.52
Empirical Formula: C25H30NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.029
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 63
Number of rings: 4

     

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