COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552994
Chemical Name: 6-(2-amino-2-oxoethyl)-4-methoxy-5-[(4-methoxyphenyl)carbamoyl]-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(C(=O)Nc1ccc(cc1)OC)[N+](CC2)(C)CC(=O)N

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Saltdata: I-
Molecular Weight: 428.47
Empirical Formula: C22H26N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -1.404
Rotatable bonds: 4
H-donors: 3
H-acceptors: 6
PSA: 109
Number of rings: 4

     

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