COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527114
Chemical Name: {[(1Z)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-1-(4-methylcyclohex-3-en-1-yl)ethylidene]amino}oxidanide
Smiles: [O-]/N=C(\C1CCC(=CC1)C)/CC1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 372.46
Empirical Formula: C21H28N2O4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.383
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 4

     

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