COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552884
Chemical Name: 5-[(3E)-4-(4,6-dimethylcyclohex-3-en-1-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/C1CC=C(CC1C)C)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 412.55
Empirical Formula: C25H34NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.179
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 44
Number of rings: 4

     

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