COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552824
Chemical Name: 4-methoxy-5-[(3E)-4-(4-methoxy-2,3,6-trimethylphenyl)-2-oxobut-3-en-1-yl]-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1cc(C)c(c(c1C)C)/C=C/C(=O)CC1c2c(CC[N+]1(C)C)cc1c(c2OC)OCO1

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Saltdata: I-
Molecular Weight: 452.57
Empirical Formula: C27H34NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.528
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 53
Number of rings: 4

     

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