COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553014
Chemical Name: 4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/C(=C/c2ccccc2)/C)OCO1

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Saltdata: Br-
Molecular Weight: 464.54
Empirical Formula: C27H30NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.255
Rotatable bonds: 7
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 4

     

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